SCHEMBL7992930

SCHEMBL7992930

O=C(O)c1cccc(Cc2cc(Cl)cc(Cc3ccccc3O)c2O)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.60
ALDH1A1 P00352 2/20 0.60
HSD17B10 Q99714 2/20 0.60
HIF1A Q16665 3/20 0.50
HSP90AA1 P07900 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTPN1 P18031 5/20 0.49
PTPN2 P17706 2/20 0.49
PTPN6 P29350 2/20 0.49
HMGB1 P09429 3/20 0.47
HSPA5 P11021 2/20 0.44
CXCL12 P48061 1/20 0.43
HNF4A P41235 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL2467709 0.90 HMGB1 (0.56) HPGDALDH1A1HSD17B10PTPN1PTPN2
SCHEMBL1161183 0.88 HMGB1 (0.57) HPGDALDH1A1HSD17B10PTPN1PTPN2
SCHEMBL29697016 0.80 HMGB1 (0.67) HPGDALDH1A1HSD17B10PTPN1PTPN2
SCHEMBL633197 0.80 HMGB1 (0.67) HPGDALDH1A1HSD17B10PTPN1PTPN2
SCHEMBL11327561 0.79 HMGB1 (0.54) HPGDALDH1A1HSD17B10HSP90AA1PTPN1
SCHEMBL4731949 0.77 HSPA5 (0.64) HPGDALDH1A1HSD17B10HIF1ACYP2C9
SCHEMBL18857466 0.76 HSP90AA1 (0.72) HPGDALDH1A1HSD17B10HIF1AHSP90AA1
SCHEMBL11322770 0.75 PTPN1 (0.51) HPGDALDH1A1HSD17B10HIF1AHSP90AA1
SCHEMBL6670779 0.75 PTPN1 (0.71) HPGDALDH1A1HSD17B10PTPN1PTPN2
SCHEMBL9251915 0.75 HPGD (0.75) HPGDALDH1A1HSD17B10HIF1APTPN1

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-6288265-B1 HYDROXYBENZOIC ACID OR HYDROXYBENZAMIDE DERIVATIVES NATIONAL SCIENCE COUNCIL (TW) 2001-09-11 US disclosed
US-6121255-A 7-(PHLOROGLUCIDAMIDO)CEPHALOSPORINS OR CEPHALOSPORIN 3'-PHLOROGLUCIDE ESTER ANTIBIOTICS NATIONAL SCIENCE COUNCIL (TW) 2000-09-19 US disclosed