SCHEMBL10728792

SCHEMBL10728792

CCCCCCCCCCCCCCCC/C=C/c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.58
PTPN2 P17706 1/20 0.58
PTPN6 P29350 1/20 0.58
KAT8 Q9H7Z6 2/20 0.56
HNF4A P41235 1/20 0.54
PTGS2 P35354 1/20 0.52
APP P05067 7/20 0.50
LCK P06239 1/20 0.49
MMP2 P08253 2/20 0.46
F7 P08709 2/20 0.46
F3 P13726 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
ECE1 P42892 1/20 0.46
SGMS1 Q86VZ5 1/20 0.46
SGMS2 Q8NHU3 1/20 0.46
MUS81 Q96NY9 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SAE1 Q9UBE0 1/20 0.46

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
SCHEMBL10728796 1.00 PTPN1 (0.58) PTPN1PTPN2PTPN6KAT8HNF4A
SCHEMBL10897735 0.85 ALDH1A1 (0.43) APPF7F3KDM4EALOX15
SCHEMBL10897739 0.85 ALDH1A1 (0.43) APPF7F3KDM4EALOX15
SCHEMBL11028146 0.83 RARB (0.51) APPF7F3KDM4EALOX15
SCHEMBL11028148 0.83 RARB (0.51) APPF7F3KDM4EALOX15
SCHEMBL16143781 0.83 PTPN1 (0.56) PTPN1PTPN2PTPN6APP
SCHEMBL4322043 0.83 PTPN1 (0.56) PTPN1PTPN2PTPN6APP
SCHEMBL28549529 0.82 APP (0.61) APPLCKKDM4EMAPTALOX15
SCHEMBL9680538 0.82 APP (0.61) APPLCKKDM4EMAPTALOX15
SCHEMBL30355320 0.82 APP (0.61) APPLCKKDM4EMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4692552-A Protease inhibitors G. D. SEARLE & CO. (US) 1987-09-08 US claimed
US-4499295-A Protease inhibitors G. D. SEARLE & CO. (US) 1985-02-12 US claimed
EP-0124905-A1 Protease inhibitors G.D. Searle & Co. (US) 1984-11-14 EP claimed
US-4692552-A Protease inhibitors G. D. SEARLE & CO. (US) 1987-09-08 US disclosed
EP-0124905-B1 PROTEASE INHIBITORS G.D. Searle & Co. (US) 1986-10-29 EP disclosed
US-4584397-A Protease inhibitors G. D. SEARLE & CO. (US) 1986-04-22 US disclosed
US-4499295-A Protease inhibitors G. D. SEARLE & CO. (US) 1985-02-12 US disclosed