SCHEMBL2551111

SCHEMBL2551111

CC(=O)Nc1ccccc1C=CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
NFKB1 P19838 1/20 0.53
CA4 P22748 1/20 0.53
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 5/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.46
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
HDAC3 O15379 1/20 0.46
TNKS O95271 1/20 0.46
HDAC4 P56524 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7186932 1.00 CYP2C19 (0.55) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1881512 1.00 CYP2C19 (0.55) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
Methyl Alcohol SCHEMBL8740660 0.98 CYP2C19 (0.54) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
Methyl Alcohol SCHEMBL8740648 0.98 CYP2C19 (0.54) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
Alcohol SCHEMBL8740663 0.94 CYP2C19 (0.50) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
Alcohol SCHEMBL8740664 0.94 CYP2C19 (0.50) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27822396 0.86 CA1 (0.56) CYP2C9CA1CA2NFKB1CA4
SCHEMBL11110869 0.85 ALDH1A1 (0.46) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11110867 0.85 ALDH1A1 (0.46) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27415289 0.85 CYP2C19 (0.54) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6005148-A COMPRISING SUPPORT, ANCHORING AGENT SUCH AS HETEROPOLY ACID OR ANION, AND METAL COMPLEX USEFUL IN HYDROGENATION OF SUBSTITUTED UNSATURATED ACIDS AND ESTERS SETON HALL UNIVERSITY (US) 1999-12-21 US claimed
WO-1999064154-A1 POLY-OXYANIONS AS ANCHORING AGENTS FOR METAL COMPLEXES SETON HALL UNIVERSITY (US) 1999-12-16 WO claimed
EP-0313924-B1 PROCESS FOR THE PREPARATION OF N-ACETYL PHENYL ALANINE HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-03 EP claimed
US-4892971-A Process for the preparation of n-acetylphenylalanine HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-09 US claimed
US-4254035-A BY REACTING GLYCINE AND AN AROMATIC ALDEHYDE IN THE PRESENCE OF ACETIC ANHYDRIDE DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-03-03 US claimed
JP-1149757-A None JP disclosed
CN-113373466-A Electrochemical synthesis method of beta-acetaminocarbonyl compound 安徽科技学院 2021-09-10 CN disclosed
US-9884317-B2 Inorganic/polymeric hybrid catalytic materials with high activity in various solvents NIPPON KODOSHI CORPORATION (JP) 2018-02-06 US disclosed
US-9527067-B2 Inorganic/polymeric hybrid catalytic materials containing metal nano-particles therein NIPPON KODOSHI CORPORATION (JP) 2016-12-27 US disclosed
US-20150005154-A1 INORGANIC/POLYMERIC HYBRID CATALYTIC MATERIALS WITH HIGH ACTIVITY IN VARIOUS SOLVENTS NIPPON KODOSHI CORPORATION (JP) 2015-01-01 US disclosed
EP-2814607-A1 INORGANIC / POLYMERIC HYBRID CATALYTIC MATERIALS WITH HIGH ACTIVITY IN VARIOUS SOLVENTS Nippon Kodoshi Corporation (JP) 2014-12-24 EP disclosed
US-20140128251-A1 INORGANIC/POLYMERIC HYBRID CATALYTIC MATERIALS CONTAINING METAL NANO-PARTICLES THEREIN NIPPON KODOSHI CORPORATION (JP) 2014-05-08 US disclosed
US-4892971-A Process for the preparation of n-acetylphenylalanine HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-09 US disclosed
US-4892971-A Process for the preparation of n-acetylphenylalanine HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-09 US disclosed
JP-H01149757-A PREPARATION OF N-ACETYLPHENYLALANINE HOECHST AG 1989-06-12 JP disclosed
US-4254035-A BY REACTING GLYCINE AND AN AROMATIC ALDEHYDE IN THE PRESENCE OF ACETIC ANHYDRIDE DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-03-03 US disclosed
US-4254035-A BY REACTING GLYCINE AND AN AROMATIC ALDEHYDE IN THE PRESENCE OF ACETIC ANHYDRIDE DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-03-03 US disclosed
US-4254035-A BY REACTING GLYCINE AND AN AROMATIC ALDEHYDE IN THE PRESENCE OF ACETIC ANHYDRIDE DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-03-03 US disclosed
US-4116952-A POLYAMIDES CIBA-GEIGY CORPORATION (US) 1978-09-26 US disclosed
US-4033942-A Chromium complex dye, including azo and azo methine dye compounds CIBA-GEIGY AG (CH) 1977-07-05 US disclosed