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SCHEMBL25845281

SCHEMBL25845281

C=CC(=O)OCCCCOCC(O)COC(=O)C(C)(CC(C)(C)C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.39
▸ TP53 P04637 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ LPAR5 Q9H1C0 1/20 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
SCHEMBL17695486 0.87 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25860692 0.84 LPAR5 (0.37) CYP3A4LPAR5
SCHEMBL26563669 0.81 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL16622193 0.79 TSHR (0.48) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21905618 0.78 TSHR (0.41) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2113973 0.77 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11920356 0.77 TSHR (0.40) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL19698627 0.76 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL17166283 0.76 PRKCA (0.31) —
SCHEMBL601010 0.76 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53

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-2023136135-A1 RESIN, CURABLE RESIN COMPOSITION, AND CURED FILM 住友化学株式会社 2023-07-20 — — WO disclosed