SCHEMBL31366772

SCHEMBL31366772

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.52
CYP19A1 P11511 1/20 0.52
MTNR1A P48039 5/20 0.48
MTNR1B P49286 5/20 0.48
METAP1 P53582 1/20 0.45
NQO2 P16083 3/20 0.44
CYP26A1 O43174 1/20 0.43
CYP24A1 Q07973 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL1877585 1.00 ACHE (0.52) ACHECYP19A1MTNR1AMTNR1BMETAP1
SCHEMBL7979383 0.89 CYP19A1 (0.55) ACHECYP19A1MTNR1AMTNR1BMETAP1
SCHEMBL345475 0.87 ACHE (0.51) ACHECYP19A1MTNR1AMTNR1BMETAP1
SCHEMBL14469511 0.86 MAPK1 (0.53) ACHECYP19A1MTNR1AMTNR1BMETAP1
SCHEMBL13254661 0.86 MAPK1 (0.53) ACHECYP19A1MTNR1AMTNR1BMETAP1
SCHEMBL7771760 0.85 ACHE (0.63) ACHEMTNR1AMTNR1BMETAP1KDM4E
SCHEMBL31366725 0.84 CYP19A1 (0.51) ACHECYP19A1CYP26A1CYP24A1KDM4E
SCHEMBL10333984 0.84 CYP19A1 (0.48) ACHECYP19A1MTNR1AMTNR1BMETAP1
SCHEMBL8435265 0.83 ALDH1A1 (0.56) ACHECYP19A1MTNR1AMTNR1BMETAP1
SCHEMBL31650300 0.81 CYP19A1 (0.48) ACHECYP19A1MTNR1AMTNR1BMETAP1

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