SCHEMBL7769495

SCHEMBL7769495

CCCCCCCCOCC(O)CN(CC(=O)O)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.56
HTT P42858 1/20 0.54
LPAR5 Q9H1C0 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
SPHK1 Q9NYA1 1/20 0.46
PLA2G2C Q5R387 3/20 0.46
P2RY10 O00398 1/20 0.43
CES2 O00748 1/20 0.42
PLA2G2A P14555 1/20 0.41
BLM P54132 1/20 0.41
GPR84 Q9NQS5 4/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 2/20 0.40

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
SCHEMBL8767609 0.85 USP2 (0.53) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL26942250 0.82 USP2 (0.65) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL26942360 0.82 USP2 (0.65) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL26942174 0.82 USP2 (0.65) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL26942257 0.82 USP2 (0.65) USP2HTTLPAR5CYP1A2CYP3A4
Propionic Acid SCHEMBL31426883 0.81 USP2 (0.49) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL6544523 0.80 USP2 (0.62) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL6544651 0.80 USP2 (0.62) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL6545160 0.80 USP2 (0.62) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL6544849 0.80 USP2 (0.62) USP2HTTLPAR5CYP1A2CYP3A4

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
EP-0822972-B1 AQUEOUS COMPOSITION, AND THE USE OF A WETTING-IMPROVING AGENT AKZO NOBEL NV (NL) 2001-08-01 EP disclosed
US-5928993-A COMPRISING AN LOW-FOAMING AQUEOUS COMPOSITION OF A BRANCHED-ALKYL GLYCOSIDE AND AN AMPHOTERIC COMPOUND AND/OR NONIONIC ALKYLOXYLATE; CARRIER FOR PESTICIDES, HERBICIDES, FERTILIZERS, CLEANING COMPOUNDS AND ALKALINE AGENTS AKZO NOBEL NV (NL) 1999-07-27 US disclosed