SCHEMBL31389258

SCHEMBL31389258

COC(=O)c1cc(OCCc2ccccc2)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
MMP13 P45452 2/20 0.47
P2RY12 Q9H244 2/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PLA2G2A P14555 4/20 0.44
NCF1 P14598 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
SCHEMBL5091950 0.87 PLA2G2A (0.58) MMP13MTNR1AMTNR1BPLA2G2A
SCHEMBL31389266 0.87 ALOX15 (0.55) ALOX15
SCHEMBL31389295 0.87 ALOX15 (0.61) ALOX15P2RY12CNR1CNR2NCF1
SCHEMBL90018 0.86 ALOX15 (0.53) ALOX15P2RY12KDM4EPLA2G2ANCF1
SCHEMBL9379922 0.85 ALOX15 (0.52) ALOX15P2RY12CNR1CNR2KDM4E
SCHEMBL31389272 0.85 P2RY12 (0.50) MMP13P2RY12KDM4E
SCHEMBL31389238 0.84 ALOX15 (0.57) ALOX15P2RY12KDM4EPLA2G2A
SCHEMBL31389291 0.84 ALOX15 (0.51) ALOX15P2RY12KDM4ENCF1
SCHEMBL9381350 0.82 ALOX15 (0.55) ALOX15P2RY12KDM4E
SCHEMBL31389265 0.82 MAPT (0.50) ALOX15

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-119264047-A Quinoline derivative histone deacetylase inhibitor and preparation method and application thereof 山东大学 2025-01-07 CN disclosed