SCHEMBL15375739

SCHEMBL15375739

CCc1cc(C(=O)O)c(O)c(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 2/20 0.48
CXCL12 P48061 2/20 0.48
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44

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
SCHEMBL1173779 0.88 PTPN1 (0.47) HMGB1CXCL12HSD17B10HPGDALDH1A1
SCHEMBL18677494 0.85 HMGB1 (0.47) HMGB1CXCL12HSD17B10HPGDALDH1A1
SCHEMBL39260 0.83 ALDH1A1 (0.48) HMGB1CXCL12HSD17B10HPGDALDH1A1
SCHEMBL29284693 0.82 KAT8 (0.53) HSD17B10
SCHEMBL4959157 0.81 PTPN1 (0.54) HMGB1CXCL12HSD17B10HPGDALDH1A1
SCHEMBL19056973 0.81 HMGB1 (0.44) HMGB1CXCL12HSD17B10HPGDALDH1A1
SCHEMBL1641608 0.81 HMGB1 (0.47) HMGB1CXCL12HSD17B10HPGDALDH1A1
SCHEMBL28675093 0.81 HMGB1 (0.47) HMGB1CXCL12HSD17B10HPGDALDH1A1
SCHEMBL4116012 0.80 GABRP (0.50) HMGB1CXCL12HSD17B10HPGDALDH1A1
SCHEMBL2334997 0.80 GABRP (0.55) HMGB1CXCL12HSD17B10HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802105-B2 Antibacterial compositions FORSYTH DENTAL INFIRMARY FOR CHILDREN (US) 2014-08-12 US disclosed
US-20130303619-A1 Antibacterial Compositions FORSYTH DENTAL INFIRMARY FOR CHILDREN 2013-11-14 US disclosed