SCHEMBL4933643

SCHEMBL4933643

CC(=O)Cc1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
AKR1B1 P15121 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CA2 P00918 2/20 0.33
KMT2A Q03164 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRIA2 P42262 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL8403545 0.82 POLB (0.61) POLBCES2CES1AKR1B1ALDH1A1
SCHEMBL9264805 0.80
SCHEMBL238714 0.78 AKR1B1 (0.61) POLBCES2CES1AKR1B1ALDH1A1
SCHEMBL5346138 0.77 ALDH1A1 (0.63) ALDH1A1KMT2AHSD17B10CYP3A4
SCHEMBL1570263 0.77 LMNA (0.44) POLBALDH1A1KMT2AHPGDHTT
SCHEMBL28249833 0.77 L3MBTL1 (0.46) POLBALDH1A1KMT2AL3MBTL1HTT
SCHEMBL483034 0.76
SCHEMBL21381425 0.76 CES1 (0.36) CES2CES1AKR1B1ALDH1A1CA2
Water SCHEMBL28157653 0.76 CTBP2 (0.52) POLBALDH1A1KMT2AHPGDCYP2C19
SCHEMBL828463 0.76 CA2 (0.58) CES2CES1AKR1B1ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105209449-B Inhibitors of the kynurenine pathway 库拉德夫制药私人有限公司 2019-02-01 CN claimed
CN-102653543-A Preparation method, biological activity and application of 3-substituted type Jolkinolide compound UNIV CHINA PHARMA 2012-09-05 CN claimed
CN-110635053-B P-type doped material, hole injection material containing same, hole injection layer and OLED display panel 上海和辉光电股份有限公司 2022-06-17 CN disclosed
CN-110635053-A P-type doped material, hole injection material containing same, hole injection layer and OLED display panel 上海和辉光电有限公司 2019-12-31 CN disclosed
CN-105517949-B Mixed semiconductor's polymer nano granules as Polarization-Sensitive fluorescence probe 华盛顿大学商业中心 2019-11-12 CN disclosed
CN-106029649-B Ethynyl derivatives 豪夫迈·罗氏有限公司 2019-02-12 CN disclosed
CN-106170479-B Acetenyl-imidazolidine-2,4-dione derivative as MGLUR4 regulator 豪夫迈·罗氏有限公司 2019-02-12 CN disclosed
CN-105209449-B Inhibitors of the kynurenine pathway 库拉德夫制药私人有限公司 2019-02-01 CN disclosed
CN-104487097-B Chromophoric polymer dots with narrow-band emission 华盛顿大学商业中心 2019-01-18 CN disclosed
CN-105579447-B Ethynyl derivatives serving 豪夫迈·罗氏有限公司 2018-11-13 CN disclosed
CN-105263855-B The system and method analyzed using polymer point 华盛顿大学商业中心 2018-09-18 CN disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
CN-1349497-A Monofluoroalkyl derivatives LILLY CO ELI (US) 2002-05-15 CN disclosed
CN-1070863-C Phosphonic diester derivatives OTSUKA PHARMA CO LTD (JP) 2001-09-12 CN disclosed
US-6262205-B1 CURING RADICAL-POLYMERIZABLE MULTICOMPONENT MIXTURE CONTAINING OLEFINICALLY-UNSATURATED COMPOUND WITH AIR BY ADDING TO ALKYL, CYCLOALKYL OR ARYL HYDRAZONE OF AN ALIPHATIC, CYCLOALIPHATIC OR AROMATIC ALDEHYDE OR KETONE AND METAL COMPOUND HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-07-17 US disclosed
CN-1206419-A Phosphonic acid diester derivatives OTSUKA PHARMA CO LTD (JP) 1999-01-27 CN disclosed
EP-0236624-B1 SUBSTITUTED PHENYL ETHANOL AMINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1993-08-11 EP disclosed
WO-1983004024-A1 2(1H)-PYRIDONE DERIVATIVES, PREPARATION THEREOF AND COMPOSITION CONTAINING THEM SANDOZ AG (CH) 1983-11-24 WO disclosed
US-4119652-A HYDROGENATION CATALYSTS; COORDINATION COMPOUNDS OF IRIDIUM, RHODIUM OR RUTHENIUM WITH PHOSPHINE OR ARSINE LIGANDS; OPTICALLY ACTIVE MONSANTO COMPANY (US) 1978-10-10 US disclosed
US-3972878-A Method for preparing azines and hydrazones PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-08-03 US disclosed