SCHEMBL7074900

SCHEMBL7074900

CCOC(=O)CC(CS(=O)(=O)c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.45
KMT2A Q03164 1/20 0.43
HSD11B1 P28845 1/20 0.43
POLB P06746 2/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 0.41
F10 P00742 1/20 0.40
APAF1 O14727 1/20 0.40
GRK2 P25098 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
NHERF1 O14745 1/20 0.39
MMP8 P22894 1/20 0.39

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
SCHEMBL7079124 0.88 ALDH1A1 (0.45) KMT2AHSD11B1POLBGAAALDH1A1
SCHEMBL7074308 0.82 MMP13 (0.45) F2KMT2AHSD11B1GAAALDH1A1
SCHEMBL6774874 0.81 F10 (0.43) F2KMT2AHSD11B1GAAALDH1A1
SCHEMBL7077549 0.79 DHODH (0.44) ALDH1A1LMNAMMP8
SCHEMBL6264598 0.78 F2 (0.50) F2KMT2AALDH1A1F10LMNA
SCHEMBL232194 0.78 F2 (0.59) F2KMT2AALDH1A1F10NPSR1
SCHEMBL7077769 0.77 HSD17B10 (0.39) F2KMT2AHSD11B1GAAALDH1A1
SCHEMBL7078046 0.77 DHODH (0.42) ALDH1A1LMNATSHRMMP8
SCHEMBL7078927 0.77 CA12 (0.44) F2KMT2AALDH1A1F10LMNA
SCHEMBL31339242 0.76 F2 (0.46) F2KMT2AALDH1A1F10LMNA

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-2003059872-A1 AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 WO disclosed