SCHEMBL9218116

SCHEMBL9218116

COCOC1=CC(=O)C[C@H](CO)C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9219709 0.81 NLRP3 (0.37) ALDH1A1
SCHEMBL9218132 0.67 ROR1 (0.30)
SCHEMBL15822243 0.61 MAPT (0.38)
SCHEMBL9218124 0.60 BRD4 (0.33) BRD4ALDH1A1
SCHEMBL17472262 0.59 LMNA (0.36) ALDH1A1
SCHEMBL477524 0.58
SCHEMBL8683550 0.56
SCHEMBL8683554 0.56
SCHEMBL23135423 0.55 BUB1 (0.42) BRD4
SCHEMBL4258014 0.55 ALDH1A1 (0.37) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7112951-A None JP disclosed
JP-H07112951-A SYNTHESIS OF OPTICALLY ACTIVE CYCLOHEXENONE DERIVATIVE AMANO PHARMACEUT CO LTD 1995-05-02 JP disclosed