SCHEMBL27769460

SCHEMBL27769460

CCCCCCCCc1cc(C(C)(C)C)c(OCC(CO)(CO)CO)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.41
SPHK2 Q9NRA0 3/20 0.39
SPHK1 Q9NYA1 1/20 0.39
CYP3A4 P08684 1/20 0.39
CNR1 P21554 4/20 0.39
CNR2 P34972 3/20 0.39
TNNC1 P63316 5/20 0.38
S1PR1 P21453 4/20 0.38
S1PR4 O95977 2/20 0.38
S1PR3 Q99500 2/20 0.38
S1PR5 Q9H228 2/20 0.38
SGPL1 O95470 1/20 0.38
GPR183 P32249 1/20 0.38
CERS2 Q96G23 1/20 0.38
S1PR2 O95136 1/20 0.38

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
SCHEMBL27523155 0.82 HSPA5 (0.44) PTGS2CYP3A4
SCHEMBL27946889 0.78 HSPA5 (0.41) CYP3A4
SCHEMBL27284159 0.78 ALDH1A1 (0.37) CYP3A4
SCHEMBL27914751 0.77 NPC1 (0.42) PTGS2SPHK2SPHK1CYP3A4TNNC1
SCHEMBL28716411 0.76 HSPA5 (0.39) CYP3A4
SCHEMBL2232697 0.76 SMN1; SMN2 (0.44) CYP3A4
SCHEMBL5347930 0.76 RXRA (0.38) CYP3A4
SCHEMBL11433850 0.75 PTGS2 (0.45) PTGS2CYP3A4CNR1CNR2
SCHEMBL27494716 0.74 MEN1 (0.34) CYP3A4
SCHEMBL674836 0.74 PTGS2 (0.38) PTGS2SPHK2SPHK1CYP3A4CNR1

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
CN-101479341-A Thermoplastic resin composition for producing automobile exterior part MITSUBISHI ENG PLASTICS CORP (JP) 2009-07-08 CN disclosed