SCHEMBL7649872

SCHEMBL7649872

CCCCCCSCCC=C(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
GMNN O75496 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
CYP2C9 P11712 2/20 0.50
BLM P54132 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
EP300 Q09472 1/20 0.46
FAAH O00519 4/20 0.41
CES1 P23141 4/20 0.41
PLA2G6 O60733 1/20 0.41
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PTGS1 P23219 1/20 0.37
PLA2G4B P0C869 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 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
SCHEMBL20837814 1.00 CES2 (0.50) CES2GMNNPOLBMAPTCYP2C9
SCHEMBL20837813 1.00 CES2 (0.50) CES2GMNNPOLBMAPTCYP2C9
SCHEMBL9407669 0.85 CD81 (0.39) MAPTHSD17B10EP300PTGS1LMNA
SCHEMBL22528431 0.83 CD81 (0.38) MAPTHSD17B10PTGS1LMNA
SCHEMBL22151498 0.81 EP300 (0.67) GMNNPOLBMAPTCYP2C9BLM
SCHEMBL1119550 0.81 EP300 (0.67) GMNNPOLBMAPTCYP2C9BLM
SCHEMBL22151482 0.81 EP300 (0.67) GMNNPOLBMAPTCYP2C9BLM
SCHEMBL23553 0.81 EP300 (0.67) GMNNPOLBMAPTCYP2C9BLM
SCHEMBL22151496 0.81 EP300 (0.67) GMNNPOLBMAPTCYP2C9BLM
SCHEMBL22151487 0.81 EP300 (0.67) GMNNPOLBMAPTCYP2C9BLM

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
WO-2002100911-A1 RESIN COMPOSITIONS, AND OPTICAL LENS PREPARED THEREBY DOOSAN CORPORATION ELECTRO-MATERIALS BG (KR) 2002-12-19 WO disclosed