SCHEMBL7630754

SCHEMBL7630754

CCOC(=O)c1cc(OC)c(C(=O)OCC)cc1Br.COc1cc(C(=O)O)c(Br)cc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.61
FYN P06241 1/20 0.61
TSHR P16473 2/20 0.56
HSD17B10 Q99714 2/20 0.56
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B2 P37059 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6859316 0.94 KMT2A (0.54) LCKFYNTSHRHSD17B10KMT2A
SCHEMBL7570621 0.89 TSHR (0.59) LCKFYNTSHRHSD17B10KMT2A
SCHEMBL11763447 0.89 TSHR (0.59) LCKFYNTSHRHSD17B10KMT2A
SCHEMBL22208862 0.86 LCK (0.61) LCKFYNTSHRHSD17B10KMT2A
SCHEMBL2900687 0.84 KMT2A (0.65) TSHRKMT2AALDH1A1GAALMNA
SCHEMBL6763991 0.84 LCK (0.85) LCKFYNTSHRHSD17B10ALDH1A1
SCHEMBL71222 0.82 TSHR (0.57) TSHRHSD17B10KMT2AALDH1A1GAA
SCHEMBL5240208 0.81 LCK (0.53) LCKFYNTSHRKMT2AALDH1A1
SCHEMBL11310863 0.81 KMT2A (0.50) TSHRKMT2AALDH1A1GAAHSD17B2
SCHEMBL10987957 0.81 CYP4F2 (0.48) TSHRKMT2AALDH1A1GAALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944569-B1 POLYMERIZABLE BIARYLS, METHOD FOR THE PRODUCTION AND USE THEREOF CELANESE VENTURES GMBH (DE) 2002-04-10 EP disclosed
EP-1029019-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR PRODUCING THE SAME, AND THEIR USE IN ELECTROLUMINESCENT ELEMENTS Axiva GmbH (DE) 2000-08-23 EP disclosed
WO-1999024526-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR PRODUCING THE SAME, AND THEIR USE IN ELECTROLUMINESCENT ELEMENTS AXIVA GMBH (DE) 1999-05-20 WO disclosed