SCHEMBL8745406

SCHEMBL8745406

COc1ccc(Oc2c(Br)cc(C[C@@H](NC(C)=O)C(=O)O)cc2Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
FPR2 P25090 1/20 0.48
THRA P10827 8/20 0.47
THRB P10828 8/20 0.47
CA2 P00918 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
PTPN1 P18031 1/20 0.43
PPARG P37231 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43

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
SCHEMBL8745433 1.00 KMT2A (0.48) KMT2AFPR2THRATHRBCA2
SCHEMBL8745430 0.91 PCNA (0.42) THRATHRB
SCHEMBL8745450 0.86 KMT2A (0.45) KMT2AFPR2THRATHRBCA2
SCHEMBL8745468 0.86 FPR2 (0.49) KMT2AFPR2CA2ITGB3ITGA2B
SCHEMBL27850539 0.83 ITGB3 (0.60) KMT2AFPR2CA2ITGB3ITGA2B
SCHEMBL27850537 0.83 ITGB3 (0.60) KMT2AFPR2CA2ITGB3ITGA2B
SCHEMBL8745457 0.83 THRB (0.61) KMT2ATHRATHRBALDH1A1ALOX15
SCHEMBL4361126 0.82 ITGB3 (0.64) KMT2AFPR2CA2ITGB3ITGA2B
SCHEMBL6438360 0.82 ITGB3 (0.64) KMT2AFPR2CA2ITGB3ITGA2B
SCHEMBL10660397 0.82 ITGB3 (0.64) KMT2AFPR2CA2ITGB3ITGA2B

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-0612308-B1 METHOD FOR PREPARING RADIO-IODINATED THYRONINE DERIVATIVES; NOVEL INTERMEDIATES HENNING BERLIN GMBH (DE) 1997-02-05 EP claimed