SCHEMBL14760432

SCHEMBL14760432

Cc1cc([S+]([O-])c2ccc(O)c(C)c2)ccc1O.[O-][S+](c1ccc(O)c(-c2ccccc2)c1)c1ccc(O)c(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.46
ESR2 Q92731 4/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
BCL2L1 Q07817 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ESR1 P03372 3/20 0.39
HSD17B1 P14061 3/20 0.39
HSD17B2 P37059 3/20 0.39
PELI1 Q96FA3 1/20 0.39
CDC7 O00311 1/20 0.38
PIM1 P11309 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CLK1 P49759 1/20 0.38
GSK3B P49841 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
ALOX5 P09917 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL1069940 0.90 BACE1 (0.56) BACE1ESR2ALDH1A1HPGDBCL2L1
SCHEMBL72006 0.83 TP53 (0.50) ESR2ALDH1A1HPGDHSD17B10ESR1
SCHEMBL19086326 0.77 ESR2 (0.50) BACE1ESR2ALDH1A1ALOX5
SCHEMBL21409958 0.76 HSD17B1 (0.59) BACE1ESR2ALDH1A1HPGDBCL2L1
SCHEMBL13799732 0.76 ESR1 (0.44) BACE1ESR2ALDH1A1HPGDHSD17B10
SCHEMBL19314239 0.73 TP53 (0.41) ESR2ALDH1A1HPGDHSD17B10ESR1
SCHEMBL14760441 0.72 ESR1 (0.53) BACE1ESR2ALDH1A1ESR1PELI1
SCHEMBL4274407 0.72 BACE1 (0.73) BACE1ESR2ALDH1A1HPGDBCL2L1
SCHEMBL22888341 0.72 BACE1 (0.65) BACE1ESR2ALDH1A1HPGDBCL2L1
SCHEMBL27989580 0.71 ESR2 (0.56) BACE1ESR2ALDH1A1HPGDBCL2L1

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-2277936-B1 Method of preparing polycarbonate resin LG CHEMICAL LTD (KR) 2013-03-13 EP disclosed