SCHEMBL31366725

SCHEMBL31366725

COc1ccc2c(c1)C(=O)C(C(=O)c1ccccc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ACHE P22303 1/20 0.48
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAOB P27338 1/20 0.46
▸ CYP24A1 Q07973 4/20 0.46
▸ CYP27A1 Q02318 2/20 0.46
▸ MAPK14 Q16539 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CYP26A1 O43174 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL13254661 0.92 MAPK1 (0.53) CYP19A1GAAACHENPC1RAB9A
SCHEMBL14469511 0.92 MAPK1 (0.53) CYP19A1GAAACHENPC1RAB9A
SCHEMBL7979383 0.87 CYP19A1 (0.55) CYP19A1ACHEMAPTNPC1RAB9A
SCHEMBL1877585 0.84 ACHE (0.52) CYP19A1ACHEMAPTCYP24A1CYP26A1
SCHEMBL31366772 0.84 ACHE (0.52) CYP19A1ACHEMAPTCYP24A1CYP26A1
SCHEMBL345475 0.83 ACHE (0.51) CYP19A1ACHECYP24A1CYP26A1
SCHEMBL15291331 0.82 CYP24A1 (0.52) CYP19A1POLBGAAHSD17B10MAPT
SCHEMBL5217220 0.82 MAPK1 (0.53) CYP19A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL31366720 0.80 POLB (0.52) POLBGAAHSD17B10ACHEMAPT
SCHEMBL10333984 0.80 CYP19A1 (0.48) CYP19A1ACHECYP24A1CYP27A1CYP26A1

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-119431143-A Method for synthesizing beta-functionalized alpha-naphthol compound by beta-substituted alpha-tetralone 河北科技大学 2025-02-14 — — CN disclosed
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