SCHEMBL4028272

SCHEMBL4028272

O=C(O)c1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 9/20 1.00
TSHR P16473 2/20 0.85
ALOX15 P16050 1/20 0.85
MAPK1 P28482 1/20 0.67
NR4A1 P22736 1/20 0.61
TP53 P04637 1/20 0.60
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.57
CES2 O00748 2/20 0.56
CES1 P23141 2/20 0.56
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54

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
4-Chloro-Benzoic Acid SCHEMBL1331727 0.92 TSHR (1.00) SRD5A2TSHRALOX15NR4A1TP53
4-Chloro-Benzoic Acid SCHEMBL28384 0.92 TSHR (1.00) SRD5A2TSHRALOX15NR4A1TP53
4-Chloro-Benzoic Acid SCHEMBL9120766 0.90 TSHR (0.94) SRD5A2TSHRALOX15NR4A1TP53
4-Chloro-Benzoic Acid SCHEMBL3150134 0.90 TSHR (0.94) SRD5A2TSHRALOX15NR4A1TP53
4-Chloro-Benzoic Acid SCHEMBL32665742 0.90 TSHR (0.94) SRD5A2TSHRALOX15NR4A1TP53
4-Chloro-Benzoic Acid SCHEMBL9493329 0.90 TSHR (0.94) SRD5A2TSHRALOX15NR4A1TP53
4-Chloro-Benzoic Acid SCHEMBL9316886 0.90 TSHR (0.94) SRD5A2TSHRALOX15NR4A1TP53
4-Chloro-Benzoic Acid SCHEMBL7634885 0.90 TSHR (0.94) SRD5A2TSHRALOX15NR4A1TP53
4-Chloro-Benzoic Acid SCHEMBL8024007 0.90 TSHR (0.94) SRD5A2TSHRALOX15NR4A1TP53
4-Chloro-Benzoic Acid SCHEMBL2918294 0.90 TSHR (0.94) SRD5A2TSHRALOX15NR4A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120213978-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2012-08-23 US disclosed
US-20120213978-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2012-08-23 US disclosed
EP-1263720-B1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2009-06-03 EP disclosed
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP disclosed
EP-1263720-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
EP-1251396-A2 Methods for making photothermographic emulsions and materials EASTMAN KODAK COMPANY (US) 2002-10-23 EP disclosed
US-6413710-B1 USING ORGANONITROGEN RING COMPOUND EASTMAN KODAK COMPANY 2002-07-02 US disclosed
WO-2001064632-A1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2001-09-07 WO disclosed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO disclosed
US-5998433-A THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-07 US disclosed
EP-0713856-B1 Process for preparing brominated or chlorinated aromatic carboxylic acids CLARIANT GMBH (DE) 1999-09-08 EP disclosed
CN-1160403-A Substd. heterobicyclic alkyl amines and their use as squalene oxide cyclase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-09-24 CN disclosed
EP-0785939-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-30 EP disclosed
US-5637764-A Process for the preparation of brominated or chlorinated aromatic carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-10 US disclosed
EP-0713856-A1 Process for preparing brominated or chlorinated aromatic carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-29 EP disclosed
WO-1996011201-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 WO disclosed
US-5300693-A Process for the preparation of 1,4-bis(4-fluorobenzoyl)-benzene HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed