SCHEMBL9696459

SCHEMBL9696459

CC(C)(C)c1cccc(C(C)(C)C)c1O.CCCCCCCCSc1nc(Oc2ccc(O)cc2)nc(SCCCCCCCC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.39
▸ PTGES O14684 2/20 0.38
▸ NR5A1 Q13285 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ PPARG P37231 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2E1 P05181 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C8 P10632 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2B6 P20813 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CCNE1 P24864 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ESR1 P03372 3/20 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
SCHEMBL8607327 0.95 GABRA1 (0.42) LTA4HPTGESNR5A1CA2PPARG
SCHEMBL218295 0.88 LTA4H (0.49) LTA4HPTGESNR5A1CYP1A2CYP2E1
SCHEMBL11170888 0.81 CA1 (0.40) PTGESCA2CCNE1CDK2LMNA
SCHEMBL11863295 0.81 CA1 (0.40) PTGESCA2CCNE1CDK2LMNA
SCHEMBL11176405 0.81 CA1 (0.40) PTGESCA2CCNE1CDK2LMNA
SCHEMBL39436 0.81 CA1 (0.40) PTGESCA2CCNE1CDK2LMNA
SCHEMBL11174053 0.80 PTGS1 (0.36) PTGESCA2CCNE1CDK2LMNA
SCHEMBL9008293 0.78 GAA (0.45) PTGESCYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL11182464 0.77 PTGS1 (0.36) PTGESCA2CCNE1CDK2SMN1; SMN2
SCHEMBL11184986 0.77 CYP1A2 (0.36) PTGESCA2CYP1A2CYP2C9CYP2C19

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-1992000363-A1 WATER DISPERSIBLE HOT MELT ADHESIVE COMPOSITION AND APPLICATION ENBOND LIMITED (GB) 1992-01-09 — — WO disclosed
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