SCHEMBL5086867

SCHEMBL5086867

CCCCCCCCCOc1cc(OCCCCCCCCC)cc(C(=O)OC)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.71
SMPD1 P17405 3/20 0.55
BLM P54132 1/20 0.54
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
PLA2G4B P0C869 1/20 0.51
ESR1 P03372 1/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
MAPT P10636 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50

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
SCHEMBL31006945 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR
SCHEMBL5090279 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR
SCHEMBL15731932 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR
SCHEMBL1568668 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR
SCHEMBL25328188 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR
SCHEMBL25327393 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR
SCHEMBL5095050 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR
SCHEMBL971768 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR
SCHEMBL317989 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR
SCHEMBL31007015 1.00 PLA2G2A (0.71) PLA2G2ASMPD1BLMTP53TSHR

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-7332529-B2 Thermoreversible organogelators, compositions and methods of making thereof CARR ANDREW J 2008-02-19 US disclosed
US-20060089416-A1 Thermoreversible organogelators, compositions and methods of making thereof NORTH PASS VENTURES. 2006-04-27 US disclosed