SCHEMBL15712968

SCHEMBL15712968

C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1I)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.40
PGR P06401 3/20 0.39
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MMP7 P09237 2/20 0.33
MMP9 P14780 2/20 0.33
MMP13 P45452 2/20 0.33
NR3C1 P04150 1/20 0.33

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
SCHEMBL15712958 0.88 CXCR1 (0.36) ARPGRCXCR1CXCR2L3MBTL1
SCHEMBL1364415 0.88 AR (0.40) ARPGRCXCR1CXCR2L3MBTL1
SCHEMBL15712940 0.86 AR (0.39) ARPGRCXCR1CXCR2L3MBTL1
SCHEMBL12342663 0.86 AR (0.51) ARPGRNR3C1
SCHEMBL1291460 0.86 AR (0.51) ARPGRNR3C1
SCHEMBL12342293 0.86 AR (0.51) ARPGRNR3C1
SCHEMBL12140365 0.86 AR (0.51) ARPGRNR3C1
SCHEMBL1362970 0.86 AR (0.51) ARPGRNR3C1
SCHEMBL1364405 0.86 AR (0.51) ARPGRNR3C1
SCHEMBL1363381 0.82 AR (0.37) ARPGRCXCR1CXCR2L3MBTL1

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
EP-2260028-B1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH INC (US) 2014-05-07 EP disclosed