SCHEMBL8094335

SCHEMBL8094335

CCCCc1cccc(Cl)c1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CTRC Q99895 1/20 0.41
CFTR P13569 4/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 2/20 0.39
LIPG Q9Y5X9 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
TAAR1 Q96RJ0 3/20 0.38
PNMT P11086 1/20 0.38

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
SCHEMBL21974038 0.92 LIPG (0.49) SMN1; SMN2LIPGALOX5PTGS2
SCHEMBL8094251 0.88 ALDH1A1 (0.45) ALDH1A1LMNAHPGDHTTTAAR1
SCHEMBL10982682 0.85 LIPG (0.45) LIPGALOX5PTGS2
SCHEMBL79270 0.82 ALDH1A1 (0.41) ALDH1A1LMNAHPGDTAAR1PNMT
SCHEMBL79911 0.82 ALDH1A1 (0.41) ALDH1A1LMNAHPGDTAAR1PNMT
SCHEMBL6679790 0.82 TAAR1 (0.59) ALDH1A1CTRCKDM4EHTTLIPG
SCHEMBL256701 0.81 TAAR1 (0.56) CTRCHTTLIPGTAAR1PNMT
Ammonia Solution, Strong SCHEMBL9427687 0.79 TAAR1 (0.54) CTRCHTTLIPGTAAR1PNMT
SCHEMBL630180 0.79 LIPG (0.41) LIPGALOX5PTGS2TAAR1
SCHEMBL3789998 0.79 ALDH1A1 (0.48) ALDH1A1LMNAHPGDPNMT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019179928-A1 SUBSTITUTED SUCCINIMIDE-3-CARBOXAMIDES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-26 WO disclosed
WO-2009091874-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 WO disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP disclosed
US-5214187-A Pesticide intermediates BASF AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
US-5202503-A Chemical intermediates for the preparation of pesticides BASF AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
US-5147645-A Insecticides, miticides, nematocides BASF AKTIENGESELLSCHAFT (DE) 1992-09-15 US disclosed
EP-0347693-B1 BENZONITRILES, BENZALDEHYDES AND BENZYL ALCOHOLS, AND PROCESSES FOR THEIR PRODUCTION BASF Aktiengesellschaft (DE) 1992-09-09 EP disclosed
EP-0347694-B1 PYRETHROIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN COMBATING PESTS BASF Aktiengesellschaft (DE) 1992-08-26 EP disclosed
US-5101061-A Pesticide Intermediates BASF AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
US-4950796-A CHEMICAL INTERMEDIATES FOR INSECTICIDES, ACARICIDES BASF AKTIENGESELLSCHAFT (DE) 1990-08-21 US disclosed
EP-0347694-A1 Pyrethroids, process for their preparation and their use in combating pests BASF Aktiengesellschaft (DE) 1989-12-27 EP disclosed
EP-0347693-A1 Benzonitriles, benzaldehydes and benzyl alcohols, and processes for their production BASF Aktiengesellschaft (DE) 1989-12-27 EP disclosed
US-4538003-A TREATMENT WITH MAGNESIUM OR ZINC ORGANOMETALLIC REAGENTS IN PRESENE OF A NICKEL BIDENTATE OR TRIDENTATE PHOSPHOROUS LIGAND E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-08-27 US disclosed