SCHEMBL19956786

SCHEMBL19956786

CCCc1ccc(C2CCC(CP(=O)(OC(C)C)OC(C)C)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
CYP2C9 P11712 1/20 0.36
SPHK2 Q9NRA0 7/20 0.36

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
SCHEMBL4323763 0.75 SPHK1 (0.61) SPHK1SPHK2
SCHEMBL9346694 0.74 SPHK1 (0.53) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL9359614 0.73 CYP2C9 (0.49) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL10486078 0.73 CYP2C9 (0.58) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL11466853 0.73 CYP2C9 (0.58) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL11466923 0.73 CYP2C9 (0.58) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL19956743 0.72 ALDH1A1 (0.35) ALDH1A1LMNAMAPTCYP2C9
SCHEMBL8680778 0.72 SPHK1 (0.48) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL11280039 0.71 SPHK1 (0.44) SPHK1ALDH1A1LMNAMAPTCYP2C9
SCHEMBL11895195 0.71 ESR2 (0.61) SPHK1CYP2C9SPHK2

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-2805951-B1 Inhibitors of diacylglycerol o-acyltransferase 1 (DGAT-1) and uses thereof METABASIS THERAPEUTICS INC (US) 2018-03-14 EP disclosed