SCHEMBL8767609

SCHEMBL8767609

CCCCCCCCCCCCOCC(O)CN(C)CC(=O)O.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
HTT P42858 1/20 0.51
LPAR5 Q9H1C0 1/20 0.49
SPHK1 Q9NYA1 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
PLA2G2C Q5R387 5/20 0.44
P2RY10 O00398 1/20 0.41
CES2 O00748 2/20 0.41
PLA2G2A P14555 1/20 0.40
BLM P54132 1/20 0.40
GPR84 Q9NQS5 4/20 0.39

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
SCHEMBL16408436 0.92 USP2 (0.45) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL7769495 0.85 USP2 (0.56) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL8767600 0.84 USP2 (0.51) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL15682866 0.81 USP2 (0.34) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL15685101 0.80 USP2 (0.33) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL8368296 0.80 GPR84 (0.58) GPR84
SCHEMBL11582327 0.80 GPR84 (0.58) GPR84
SCHEMBL8365417 0.80 GPR84 (0.58) GPR84
Hydrochloric Acid SCHEMBL31426881 0.78 USP2 (0.59) USP2HTTLPAR5SPHK1CYP1A2
SCHEMBL6545160 0.78 USP2 (0.62) USP2HTTLPAR5SPHK1CYP1A2

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
EP-0788832-A1 Basic amino acid derivative for use as a surfactant, and toiletry or detergent composition containing the same Ajinomoto Co., Inc. (JP) 1997-08-13 EP disclosed