SCHEMBL905124

SCHEMBL905124

Cc1cc(N(C)C(=O)[C@H]2CC[C@H](Oc3cccc(CCO)c3)CC2)ccc1CNC[C@H](C)N

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 16/20 0.64
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ MEF2D Q14814 1/20 0.33
▸ ACSL1 P33121 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL905145 0.94 MLNR (0.63) MLNRHSD17B1HSD17B2HDAC4EP300
SCHEMBL905146 0.82 MLNR (0.43) MLNR
SCHEMBL905141 0.78 MLNR (0.41) MLNR
SCHEMBL15152781 0.78 MLNR (1.00) MLNR
SCHEMBL15152773 0.78 MLNR (1.00) MLNR
SCHEMBL15152775 0.77 MLNR (0.77) MLNR
SCHEMBL15152771 0.77 MLNR (0.77) MLNR
SCHEMBL15152745 0.72 MLNR (0.80) MLNR
SCHEMBL15152750 0.72 MLNR (0.80) MLNR
SCHEMBL15152628 0.72 MLNR (0.89) MLNR

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-2012043445-A1 CYCLOHEXANE DERIVATIVE COMPOUND 第一三共株式会社 (JP) 2012-04-05 — — WO disclosed
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