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SCHEMBL12879286

SCHEMBL12879286

COC(=O)c1nn(C)c2cc(/C=C/c3ccc(OCC4C(c5c(Cl)cccc5Cl)=NOC4C4CC4)cc3Cl)ccc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 18/20 0.39
▸ MEN1 O00255 1/20 0.35
▸ FABP1 P07148 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ LIFR P42702 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B13 Q7Z5P4 1/20 0.35
▸ HTR3A P46098 2/20 0.35

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
SCHEMBL12879021 0.84 NR1H4 (0.55) NR1H4
SCHEMBL12879262 0.82 NR1H4 (0.41) NR1H4MEN1FABP1THRBLIFR
SCHEMBL12188533 0.78 NR1H4 (0.63) NR1H4MEN1FABP1THRBLIFR
SCHEMBL12879170 0.78 NR1H4 (0.37) NR1H4MEN1FABP1THRBLIFR
SCHEMBL12879017 0.77 NR1H4 (0.64) NR1H4
SCHEMBL12879071 0.76 NR1H4 (0.36) NR1H4MEN1FABP1THRBLIFR
SCHEMBL16230392 0.75 NR1H4 (0.40) NR1H4MEN1FABP1THRBLIFR
SCHEMBL12879271 0.74 HTR3A (0.31) NR1H4HTR3A
SCHEMBL12879074 0.74 NR1H4 (0.33) NR1H4
SCHEMBL12879027 0.74 NR1H4 (0.47) NR1H4HTR3A

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-2011020615-A1 NOVEL FXR (NR1H4 ) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2011-02-24 — — WO disclosed