SCHEMBL10413630

SCHEMBL10413630

CCCCCCCCC(O)c1ccc(CO)cc1C(O)(CCCCCCCC)CCCCCCCC

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.35
▸ CNR2 P34972 3/20 0.35
▸ TNNC1 P63316 5/20 0.34
▸ S1PR1 P21453 5/20 0.34
▸ S1PR3 Q99500 3/20 0.34
▸ S1PR4 O95977 2/20 0.34
▸ S1PR5 Q9H228 2/20 0.34
▸ SGPL1 O95470 1/20 0.34
▸ GPR183 P32249 1/20 0.34
▸ CERS2 Q96G23 1/20 0.34
▸ S1PR2 O95136 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ TOP1 P11387 2/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ PPARG P37231 2/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ LPAR2 Q9HBW0 1/20 0.32

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
SCHEMBL3843495 0.77 PDE5A (0.39) S1PR1S1PR3S1PR2HTR1ATOP1
SCHEMBL5217863 0.73 PDE5A (0.36) CNR2S1PR1S1PR3S1PR2HTR1A
SCHEMBL12280538 0.69 S1PR2 (0.52) S1PR1S1PR3S1PR2HTR1ACSNK1E
SCHEMBL7144907 0.67 PPARG (0.44) CSNK1EPPARGPPARA
SCHEMBL10359982 0.65 MAPK1 (0.44) CSNK1E
Benzyl Alcohol SCHEMBL28859618 0.63 CSNK1E (0.54) CNR2CSNK1E
Benzyl Alcohol SCHEMBL5861440 0.63 CSNK1E (0.54) CNR2CSNK1E
SCHEMBL11158917 0.63 TYR (0.49) HTR1A
SCHEMBL13464609 0.63 PDE2A (0.42) TOP1PPARGPPARAPDE5A
SCHEMBL11028196 0.62 CNR1 (0.43) CNR1CNR2

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-4946970-A NON-VOLATILE, LIQUID ORGANIC COMPOUND IS APPLIED TO THE SURFACE OF SOLID TRIMELLITIC ANHYDRIDE AMOCO CORPORATION (US) 1990-08-07 — — US disclosed
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