SCHEMBL8607327

SCHEMBL8607327

CC(C)(C)c1cccc(C(C)(C)C)c1O.CCCCCCCCSc1nc(Oc2ccc(O)cc2)nc(SCCCCCCCC)n1.Cc1cccc(C(C)(C)C)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ LTA4H P09960 2/20 0.36
▸ PTGES O14684 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NR5A1 Q13285 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ PPARG P37231 1/20 0.32
▸ CYP1A2 P05177 3/20 0.31
▸ CYP3A4 P08684 3/20 0.31
▸ CYP2C19 P33261 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ CYP2E1 P05181 2/20 0.31
▸ CYP2C8 P10632 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2B6 P20813 2/20 0.31
▸ CCNE1 P24864 2/20 0.31
▸ CDK2 P24941 2/20 0.31

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
SCHEMBL9696459 0.95 LTA4H (0.39) LTA4HPTGESNR5A1CA2PPARG
SCHEMBL218295 0.84 LTA4H (0.49) LTA4HPTGESTP53NR5A1CYP1A2
SCHEMBL11184986 0.80 CYP1A2 (0.36) PTGESCA2CYP1A2CYP2C19ALDH1A1
SCHEMBL11176332 0.78 CYP1A2 (0.36) PTGESCA2CYP1A2CYP2C19ALDH1A1
SCHEMBL11176405 0.77 CA1 (0.40) PTGESCA2ALDH1A1CCNE1CDK2
SCHEMBL11170888 0.77 CA1 (0.40) PTGESCA2ALDH1A1CCNE1CDK2
SCHEMBL39436 0.77 CA1 (0.40) PTGESCA2ALDH1A1CCNE1CDK2
SCHEMBL11863295 0.77 CA1 (0.40) PTGESCA2ALDH1A1CCNE1CDK2
SCHEMBL11174053 0.76 PTGS1 (0.36) PTGESCA2ALDH1A1CCNE1CDK2
SCHEMBL9008293 0.74 GAA (0.45) PTGESCYP1A2CYP3A4CYP2C19ALDH1A1

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-0603768-B1 Starch based hot melt adhesive NAT STARCH CHEM INVEST (US) 1998-03-25 — — EP disclosed
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