SCHEMBL5086980

SCHEMBL5086980

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.73
BLM P54132 1/20 0.55
TP53 P04637 2/20 0.54
TSHR P16473 1/20 0.54
PLA2G4B P0C869 2/20 0.53
SMPD1 P17405 3/20 0.52
RARB P10826 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
NR1I2 O75469 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
OPRK1 P41145 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
SCHEMBL14763514 1.00 PLA2G2A (0.73) PLA2G2ABLMTP53TSHRPLA2G4B
SCHEMBL11695455 1.00 PLA2G2A (0.73) PLA2G2ABLMTP53TSHRPLA2G4B
Hydrochloric Acid SCHEMBL5005668 0.98 PLA2G2A (0.71) PLA2G2ABLMTP53TSHRPLA2G4B
SCHEMBL17414620 0.93 PLA2G2A (0.62) PLA2G2ABLMTP53TSHRPLA2G4B
SCHEMBL9168399 0.91 PLA2G2A (0.60) PLA2G2ABLMTP53TSHRPLA2G4B
SCHEMBL203212 0.91 PLA2G2A (0.60) PLA2G2ABLMTP53TSHRPLA2G4B
SCHEMBL15977059 0.89 PLA2G2A (0.57) PLA2G2ATP53TSHRPLA2G4BNPC1
SCHEMBL201440 0.89 PLA2G2A (0.59) PLA2G2ABLMTP53TSHRPLA2G4B
SCHEMBL6836738 0.87 PLA2G2A (0.54) PLA2G2ATSHRLMNAMAPTHSD17B10
SCHEMBL25327655 0.84 PLA2G2A (1.00) PLA2G2ABLMTP53TSHRPLA2G4B

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