SCHEMBL8642201

SCHEMBL8642201

CCN1CCCC1Oc1ccc(OCc2cccs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.35
POLB P06746 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
MCHR1 Q99705 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GBA1 P04062 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
KIT P10721 1/20 0.34
LTA4H P09960 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL8638267 0.86 HRH3 (0.44) HRH3KDM4EALDH1A1TRPM8USP2
SCHEMBL8641777 0.80 HRH3 (0.57) HRH3KDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL8637301 0.80 SMN1; SMN2 (0.43) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL8641796 0.80 FFAR1 (0.50) HRH3OPRM1
SCHEMBL8640497 0.77 SPHK2 (0.50) HRH3HPGDKDM4EALDH1A1POLB
SCHEMBL8639328 0.77 HRH3 (0.51) HRH3KDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL8637354 0.76 SPHK2 (0.47) HRH3POLBMCHR1
SCHEMBL8637785 0.76 SCN3A (0.53) SMN1; SMN2
SCHEMBL7246918 0.76 CARM1 (0.40) MCHR1SMN1; SMN2
SCHEMBL8640809 0.76 HRH3 (0.47) HRH3KDM4EALDH1A1SMN1; SMN2

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
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed