SCHEMBL11289252

SCHEMBL11289252

CCC/C=C\CC(=O)C/C=C\CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TERT O14746 3/20 0.37
CYP1A2 P05177 2/20 0.37
MAPT P10636 2/20 0.37
CYP2C19 P33261 2/20 0.37
BLM P54132 2/20 0.37
HSD17B10 Q99714 2/20 0.37
FABP4 P15090 2/20 0.37
F7 P08709 2/20 0.37
F3 P13726 2/20 0.37
PTPN1 P18031 2/20 0.37
PPARG P37231 2/20 0.37
KMT2A Q03164 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 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
SCHEMBL25417540 0.90 TDP1 (0.43) FAAHTAS1R3TAS1R1TERTCYP1A2
SCHEMBL14264928 0.90 TDP1 (0.43) FAAHTAS1R3TAS1R1TERTCYP1A2
SCHEMBL8978504 0.87 FAAH (0.38) FAAHTAS1R3TAS1R1TERTCYP1A2
SCHEMBL26972483 0.82 FAAH (0.32) FAAHTAS1R3TAS1R1TERTCYP1A2
SCHEMBL8979277 0.82 PLA2G4A (0.41) MAPTBLMHSD17B10FABP4F7
SCHEMBL841087 0.81
SCHEMBL841088 0.81
SCHEMBL6718036 0.81
SCHEMBL13701367 0.81
SCHEMBL1564477 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309351-A INTERMEDIATES FOR PROSTAGLANDIN-LIKE COMPOUNDS THE UNIVERSITY OF CHICAGO (US) 1982-01-05 US disclosed