SCHEMBL8997459

SCHEMBL8997459

COc1ccc(Oc2c(Br)cc(C[C@H](NC(=O)C(F)(F)F)C(=O)O)cc2Br)cc1CC#N

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.39
THRA P10827 11/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
GAA P10253 1/20 0.36
FPR2 P25090 1/20 0.36
CAPN1 P07384 1/20 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
SCHEMBL7273788 0.93 THRB (0.36) THRBTHRAALDH1A1GAACAPN1
SCHEMBL8745450 0.83 KMT2A (0.45) THRBTHRAALDH1A1ALOX15FPR2
SCHEMBL8997457 0.78 THRB (0.38) THRBTHRA
SCHEMBL7275728 0.75 THRB (0.36) THRBTHRAALDH1A1GAACAPN1
SCHEMBL7281978 0.74 THRA (0.53) THRBTHRAALDH1A1GAACAPN1
SCHEMBL7281471 0.73 KDM4E (0.33) THRBTHRAALDH1A1GAACAPN1
SCHEMBL7273784 0.73 THRB (0.35) THRBTHRA
SCHEMBL8331570 0.72 ALDH1A1 (0.37) THRBTHRAALDH1A1GAA
SCHEMBL8745406 0.71 KMT2A (0.48) THRBTHRAALDH1A1ALOX15FPR2
SCHEMBL8745433 0.71 KMT2A (0.48) THRBTHRAALDH1A1ALOX15FPR2

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-0728482-A2 Use of hcp specific compounds to enhance erythropoiesis SMITHKLINE BEECHAM CORPORATION (US) 1996-08-28 EP disclosed