SCHEMBL9328964

SCHEMBL9328964

O=C1CC[C@@H](c2ccccc2)[C@@H](CCCc2ccccc2)N1O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.40
EPHX2 P34913 2/20 0.39
CCR5 P51681 3/20 0.39
SIGMAR1 Q99720 2/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9328954 1.00 HSD17B2 (0.40) HSD17B2EPHX2CCR5SIGMAR1MEN1
SCHEMBL9329407 1.00 HSD17B2 (0.40) HSD17B2EPHX2CCR5SIGMAR1MEN1
SCHEMBL9328959 1.00 HSD17B2 (0.40) HSD17B2EPHX2CCR5SIGMAR1MEN1
SCHEMBL9329416 1.00 HSD17B2 (0.40) HSD17B2EPHX2CCR5SIGMAR1MEN1
SCHEMBL9331285 0.84 MFN2 (0.41)
SCHEMBL9329348 0.83 MEN1 (0.44) MEN1TP53CYP1A2KMT2A
SCHEMBL9330020 0.83 MEN1 (0.44) MEN1TP53CYP1A2KMT2A
SCHEMBL9542082 0.83 MEN1 (0.44) MEN1TP53CYP1A2KMT2A
SCHEMBL9330025 0.83 MEN1 (0.44) MEN1TP53CYP1A2KMT2A
SCHEMBL9329339 0.83 MEN1 (0.44) MEN1TP53CYP1A2KMT2A

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