SCHEMBL9328944

SCHEMBL9328944

O=C1C[C@H](CCCc2ccccc2)C[C@@H](c2ccccc2)N1O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
SLC18A3 Q16572 1/20 0.40
HSD17B2 P37059 1/20 0.38
AGTR2 P50052 1/20 0.37
CCR5 P51681 3/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9328830 1.00 EPHX2 (0.44) EPHX2SLC18A3HSD17B2AGTR2CCR5
SCHEMBL9328813 1.00 EPHX2 (0.44) EPHX2SLC18A3HSD17B2AGTR2CCR5
SCHEMBL9328821 1.00 EPHX2 (0.44) EPHX2SLC18A3HSD17B2AGTR2CCR5
SCHEMBL9328937 1.00 EPHX2 (0.44) EPHX2SLC18A3HSD17B2AGTR2CCR5
SCHEMBL9542527 0.87 EPHX2 (0.39) EPHX2SLC18A3CCR5
SCHEMBL9328925 0.76 TSHR (0.45) EPHX2
SCHEMBL9453530 0.76 TSHR (0.45) EPHX2
SCHEMBL9328917 0.76 TSHR (0.45) EPHX2
SCHEMBL9328931 0.76 TSHR (0.45) EPHX2
SCHEMBL9331244 0.73 EPHX2 (0.46) EPHX2SLC18A3

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
US-5292884-A Cyclic hydroxamic acids BIOMIDE INVESTMENT LIMITED PARTNERSHIP (US) 1994-03-08 US disclosed