SCHEMBL4647626

SCHEMBL4647626

CCCc1[nH]c(=O)ccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
PPARA Q07869 2/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL10991576 0.83 TSHR (0.40) GABRA1GABRB2PDE3BPDE3AGPR84
SCHEMBL23537975 0.81 HCAR2 (0.39) KDM5AKDM5BPPARAKDM4EPPARG
SCHEMBL4966514 0.77 BRS3 (0.34) KDM5AKDM5BKDM4ECYP1A2
SCHEMBL15567932 0.76 ALDH1A1 (0.34) KDM5AKDM5BPDE3BPDE3AKDM4E
SCHEMBL3493579 0.76 KMT2A (0.41) KDM5AKDM5BPPARAGABRPGABRD
SCHEMBL6205311 0.75 HNF4A (0.45) KDM5AKDM5BKDM4EHCAR1
SCHEMBL12354185 0.73 PDE3B (0.41) PDE3BPDE3AKDM4EHCAR1GPR84
SCHEMBL14290734 0.73 PDE3B (0.41) PDE3BPDE3AHCAR1GPR84
SCHEMBL1968151 0.71 APLNR (0.46) KDM4ECA12CA9
SCHEMBL4146790 0.71 KDM4E (0.47) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960367-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-08-27 EP disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 WO disclosed