SCHEMBL5481203

SCHEMBL5481203

Cc1ccsc1CCCO

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
ALOX5 P09917 1/20 0.47
RIPK1 Q13546 1/20 0.41
GSK3B P49841 1/20 0.40
ADRA1D P25100 2/20 0.39
HSD11B1 P28845 1/20 0.38
TKT P29401 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
KDM5C P41229 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
POLB P06746 2/20 0.33

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
SCHEMBL8815622 0.81 ALOX5 (0.44) ALDH1A1ALOX5RIPK1GSK3BADRA1D
SCHEMBL30954534 0.79 ALOX5 (0.43) ALDH1A1ALOX5RIPK1GSK3BADRA1D
SCHEMBL6617196 0.79 ALOX5 (0.43) ALDH1A1ALOX5RIPK1GSK3BADRA1D
SCHEMBL956381 0.78
SCHEMBL5960013 0.78 ALOX5 (0.42) ALDH1A1ALOX5RIPK1ADRA1DKDM4E
SCHEMBL19304398 0.78 ALOX5 (0.42) ALDH1A1ALOX5RIPK1ADRA1DKDM4E
SCHEMBL21142475 0.78 ALOX5 (0.42) ALDH1A1ALOX5RIPK1ADRA1DKDM4E
SCHEMBL4436694 0.78 ALOX5 (0.42) ALDH1A1ALOX5RIPK1ADRA1DKDM4E
SCHEMBL6809052 0.77 LTB4R (0.50) ALDH1A1ALOX5RIPK1GSK3BHSD11B1
SCHEMBL8572643 0.77 ALOX5 (0.58) ALDH1A1ALOX5RIPK1GSK3BHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186426-B2 Prevention of lactic acid bacteria spoilage of beer through use of bacteriocin-containing fermented wort KRAFT FOODS HOLDINGS, INC. (US) 2007-03-06 US disclosed
US-20020192331-A1 Prevention of lactic acid bacteria spoilage of beer through use of bacteriocin-containing fermented wort KRAFT FOODS HOLDINGS, INC. 2002-12-19 US disclosed
EP-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
US-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO disclosed