SCHEMBL17490608

SCHEMBL17490608

CCCn1cc(CCC(C)=O)nn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
GBA1 P04062 12/20 0.42
CYP19A1 P11511 1/20 0.42
CSNK2A1 P68400 1/20 0.41
HDAC1 Q13547 1/20 0.41
GGPS1 O95749 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL26517333 0.91 EPHX2 (0.53) EPHX2GBA1GGPS1HRH4HRH3
SCHEMBL12640254 0.90 HDAC1 (0.46) EPHX2GBA1CSNK2A1HDAC1GGPS1
SCHEMBL13209312 0.87 FFAR1 (0.46) EPHX2GBA1CYP19A1
SCHEMBL17776274 0.87 EPHX2 (0.46) EPHX2GBA1CSNK2A1HDAC1HRH4
SCHEMBL18289680 0.87 CYP19A1 (0.41) EPHX2CYP19A1CSNK2A1HDAC1GGPS1
SCHEMBL13437065 0.86 FOLH1 (0.46) EPHX2CSNK2A1HDAC1
SCHEMBL18768813 0.86 EPHX2 (0.51) EPHX2GBA1HDAC1
SCHEMBL23221642 0.84 EPHX2 (0.50) EPHX2GBA1CYP19A1HRH4HRH3
SCHEMBL19704881 0.84 EPHX2 (0.45) EPHX2GBA1CSNK2A1HDAC1HRH4
SCHEMBL21309983 0.83 EPHX2 (0.44) EPHX2GBA1CSNK2A1HDAC1GGPS1

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-2016019340-A1 POLYOXAZOLINE ANTIBODY DRUG CONJUGATES SERINA THERAPEUTICS, INC. (US) 2016-02-04 WO disclosed