SCHEMBL8907457

SCHEMBL8907457

CCCCCCCCCCCC(OC)OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.47
ZDHHC7 Q9NXF8 1/20 0.46
FAAH O00519 2/20 0.44
GPR84 Q9NQS5 4/20 0.42
FFAR1 O14842 1/20 0.42
GLS2 Q9UI32 3/20 0.42
PRKCA P17252 2/20 0.41
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41

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
SCHEMBL28698934 0.98 SMPD1 (0.44) SMPD1ZDHHC7FAAHGPR84FFAR1
SCHEMBL1520862 0.92 CA2 (0.42) SMPD1ZDHHC7FAAHGLS2PRKCA
SCHEMBL11492302 0.90 SMPD1 (0.52) SMPD1ZDHHC7FAAHGPR84FFAR1
SCHEMBL4445122 0.90 SMPD1 (0.52) SMPD1ZDHHC7FAAHGPR84FFAR1
SCHEMBL29663659 0.90 SMPD1 (0.52) SMPD1ZDHHC7FAAHGPR84FFAR1
SCHEMBL11491808 0.90 SMPD1 (0.52) SMPD1ZDHHC7FAAHGPR84FFAR1
SCHEMBL11483358 0.90 SMPD1 (0.52) SMPD1ZDHHC7FAAHGPR84FFAR1
SCHEMBL8607905 0.90 SMPD1 (0.52) SMPD1ZDHHC7FAAHGPR84FFAR1
SCHEMBL5136501 0.90 SMPD1 (0.52) SMPD1ZDHHC7FAAHGPR84FFAR1
SCHEMBL10903572 0.90 SMPD1 (0.52) SMPD1ZDHHC7FAAHGPR84FFAR1

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
US-5612398-A Radiation-resistant polycarbonates BAYER AG (DE) 1997-03-18 US disclosed