SCHEMBL15413498

SCHEMBL15413498

COC(=O)c1c[nH]c2c1-c1cc(C(=O)OCc3ccccc3)n(S(=O)(=O)c3ccc(C)cc3)c1C(=O)C2=O.O=C1C=CC(=O)c2c(O)c(N3CCN(CCOCCO)CC3)c(Br)c(O)c21

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.62
▸ OPRD1 P41143 1/20 0.62
▸ NSD2 O96028 1/20 0.45
▸ PABPC1 P11940 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ NOD2 Q9HC29 2/20 0.32
▸ NOD1 Q9Y239 2/20 0.32
▸ PDGFRB P09619 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ FLT1 P17948 1/20 0.31
▸ FGFR3 P22607 1/20 0.31
▸ KDR P35968 1/20 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
SCHEMBL15413322 0.81 OPRM1 (0.94) OPRM1OPRD1ALDH1A1GAAPKM
SCHEMBL23483863 0.78 OPRM1 (1.00) OPRM1OPRD1ALDH1A1GAAPKM
SCHEMBL20830347 0.72 OPRM1 (0.86) OPRM1OPRD1ALDH1A1NOD2NOD1
SCHEMBL20816038 0.71 OPRM1 (0.85) OPRM1OPRD1ALDH1A1NOD2NOD1
SCHEMBL15413710 0.68 NSD2 (0.98) OPRM1NSD2PABPC1CASP6PAX8
SCHEMBL20816042 0.62 OPRM1 (0.65) OPRM1OPRD1ALDH1A1NOD2NOD1
SCHEMBL25015538 0.57 OPRM1 (0.57) OPRM1OPRD1
SCHEMBL104068 0.55 DRD2 (0.50) ALDH1A1GAA
SCHEMBL20305738 0.55 MEN1 (0.54) OPRM1GAA
SCHEMBL25204350 0.55 ALDH1A1 (0.47) ALDH1A1GAAPKM

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-2014011540-A1 BONE MORPHOGENETIC PROTEIN PATHWAY ACTIVATION, COMPOSITIONS FOR OSSIFICATION, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2014-01-16 — — WO disclosed
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