SCHEMBL4659900

SCHEMBL4659900

O=C(OC(CCCCCCCBr)CCc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
UTS2R Q9UKP6 1/20 0.38
MMP12 P39900 2/20 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
SCHEMBL4661314 0.85 PDPK1 (0.39) PDPK1PPARGPPARATSHRMEN1
SCHEMBL4661293 0.84 MMP12 (0.46) PDPK1PPARGPPARAMEN1LMNA
SCHEMBL4661333 0.82 LMNA (0.39) PDPK1PPARGPPARATSHRMEN1
SCHEMBL4661136 0.79 PPARA (0.42) PPARGPPARAALDH1A1MMP12MGLL
SCHEMBL10419234 0.78 PPARA (0.57) PDPK1PPARGPPARATSHRSLC6A2
SCHEMBL20360646 0.74 TSHR (0.46) TSHRMEN1LMNAKMT2ASLC6A2
SCHEMBL25034530 0.74 TSHR (0.49) TSHRMEN1LMNAKMT2ASLC6A2
SCHEMBL16395692 0.73 TSHR (0.45) TSHRMEN1LMNAKMT2ASLC6A2
SCHEMBL16673087 0.73 PRKCA (0.51) TSHRMEN1LMNAKMT2ASLC6A2
SCHEMBL20360292 0.73 TSHR (0.45) TSHRMEN1LMNAKMT2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1627866-B1 CARBOXYLIC ACID COMPOUND AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2008-12-24 EP disclosed
CN-100368374-C Carboxylic compound and medicine comprising the same KOWA CO (JP) 2008-02-13 CN disclosed
US-7109242-B2 Carboxylic compound and medicine comprising the same KOWA COMPANY, LTD. (JP) 2006-09-19 US disclosed
CN-1795163-A Carboxylic compound and medicine comprising the same KOWA CO (JP) 2006-06-28 CN disclosed
EP-1627866-A1 CARBOXYLIC ACID COMPOUND AND MEDICINE CONTAINING THE SAME Kowa Company Ltd. (JP) 2006-02-22 EP disclosed