SCHEMBL1049955

SCHEMBL1049955

C=CCO[C@@H]1CCC[C@@](Cc2ccccc2)(O[C@]2(Cc3ccccc3)CCC[C@@H](OCC=C)C2)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 7/20 0.32
▸ MAOB P27338 7/20 0.32
▸ DPP4 P27487 2/20 0.32
▸ OPRM1 P35372 2/20 0.32
▸ OPRL1 P41146 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CTSL P07711 3/20 0.31
▸ CTSB P07858 3/20 0.31
▸ CTSK P43235 3/20 0.31
▸ KDM1A O60341 4/20 0.31

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
SCHEMBL1051706 0.75 ALDH1A1 (0.39) MAOAMAOBCTSLCTSBCTSK
SCHEMBL1051705 0.75 ALDH1A1 (0.39) MAOAMAOBCTSLCTSBCTSK
SCHEMBL11823681 0.71 MAOA (0.48) MAOAMAOBDPP4OPRM1OPRL1
SCHEMBL4014136 0.71 CTSL (0.41) DPP4OPRM1OPRL1ALOX15CTSL
SCHEMBL8767085 0.69 MAOA (0.47) MAOAMAOBCTSLCTSBCTSK
SCHEMBL20121045 0.66 CTSL (0.45) DPP4OPRM1OPRL1ALOX15CTSL
SCHEMBL20121044 0.66 CTSL (0.45) DPP4OPRM1OPRL1ALOX15CTSL
SCHEMBL22111662 0.66 OPRM1 (0.48) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL11171764 0.65 ALOX15 (0.35) ALOX15
SCHEMBL31570432 0.65 CTSL (0.38) DPP4OPRM1OPRL1ALOX15CTSL

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-7872034-B2 Arylcycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-01-18 — — US disclosed
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