SCHEMBL4848836

SCHEMBL4848836

Cc1cccc(CO)c1OCC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
SCN4A P35499 7/20 0.35
SCN8A Q9UQD0 4/20 0.35
LMNA P02545 2/20 0.35
SCN1A P35498 2/20 0.35
SCN5A Q14524 2/20 0.35
SCN9A Q15858 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
NFKB1 P19838 2/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL1825131 0.84 SCN4A (0.47) TSHRKDM4EALDH1A1SCN4ASCN8A
SCHEMBL4843386 0.83 SCN4A (0.39) TSHRKDM4EALDH1A1PTGER1PTGER4
SCHEMBL27499107 0.81 PTGER4 (0.36) TSHRKDM4EALDH1A1PTGER1PTGER4
SCHEMBL6089755 0.80 TSHR (0.45) TSHRCD274
SCHEMBL14213260 0.79 ALDH1A1 (0.35) TSHRKDM4EALDH1A1PTGER1PTGER4
SCHEMBL9653476 0.79 CYP4F2 (0.41) TSHRKDM4EALDH1A1PTGER1PTGER4
SCHEMBL16501772 0.78 GABRA1 (0.46) TSHRALDH1A1PTGER1PTGER4PTGER3
SCHEMBL5725097 0.77 CHRNB2 (0.40) KDM4ECYP3A4
SCHEMBL7983774 0.77 PDCD1 (0.42) ALDH1A1LMNAPDCD1CD274KMT2A
SCHEMBL23491315 0.76 TSHR (0.48) TSHRSCN4ASCN8ALMNASCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
EP-1177176-B1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA GMBH (DE) 2006-04-19 EP disclosed
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
CN-1183113-C Tri-aryl acid derivatives as PPAR receptor ligands ���ĵ�˹ҩ��¹����޹�˾ 2005-01-05 CN disclosed
US-6635655-B1 Agonists or antagonists of peroxisome proliferator-activated receptors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-21 US disclosed
CN-1356983-A Tri-aryl acid derivatives as PPAR receptor ligands AVENTIS PHARM PROD INC (DE) 2002-07-03 CN disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
EP-1177187-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064888-A1 DI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed