SCHEMBL6548518

SCHEMBL6548518

O=C(S)c1ccc(CCO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 7/20 0.52
CYP4F2 P78329 6/20 0.52
CA2 P00918 4/20 0.50
CA1 P00915 3/20 0.46
CA12 O43570 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA3 P07451 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
TSHR P16473 1/20 0.45
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL6549672 0.80 CA1 (0.44) CYP4A11CA2CA1CA12CA4
SCHEMBL6547320 0.80 TDP1 (0.44) CYP4A11CA2CA1CA12CA4
SCHEMBL49705 0.79 ALDH1A1 (0.58) CYP4A11CYP4F2CA2CA1CA12
SCHEMBL77965 0.77 KMT2A (0.64) CYP4A11CYP4F2CA2CA1CA12
SCHEMBL2633786 0.77 PLA2G10 (0.55) CYP4A11CYP4F2CA2CA1CA12
SCHEMBL28527267 0.77 ALDH1A1 (0.56) CYP4A11CYP4F2CA2CA1CA12
SCHEMBL40656 0.77 CA2 (0.77) CYP4A11CYP4F2CA2CA1CA12
SCHEMBL1178638 0.77 CA1 (0.71) CA2CA1CA12CA4CA6
SCHEMBL10886969 0.77 RARB (0.62) ALDH1A1MAPTPLK1
SCHEMBL17784944 0.76 PTPRC (0.53) CYP4A11CYP4F2CA2CA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100778-B1 OXIDISED SULFURATED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2004-12-01 EP disclosed
EP-1100777-B1 SULFURATED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2003-05-28 EP disclosed
EP-1100777-A1 SULFURATED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-05-23 EP disclosed
WO-2000006541-A1 SULFURATED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-02-10 WO disclosed