SCHEMBL9251745

SCHEMBL9251745

CCC(CC)c1cc(Cc2ccccc2)c(O)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.62
PTPN2 P17706 3/20 0.62
PTPN6 P29350 3/20 0.62
HMGB1 P09429 1/20 0.43
CXCL12 P48061 1/20 0.43
HNF4A P41235 1/20 0.43
BCL2 P10415 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LDHA P00338 2/20 0.41
LDHB P07195 2/20 0.41
TSHR P16473 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
SCHEMBL9652075 0.88 PTPN1 (0.61) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL9652059 0.86 PTPN1 (0.66) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL8425733 0.83 PTPN1 (0.62) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL9250632 0.80 PTPN1 (0.79) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL9252181 0.78 PTPN1 (0.71) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL5444611 0.77 PTPN1 (1.00) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL3714683 0.77 PTPN1 (0.76) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL9652558 0.77 PTPN1 (0.75) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL29236440 0.76 PTPN1 (0.97) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL28707306 0.76 PTPN1 (0.73) PTPN1PTPN2PTPN6HMGB1CXCL12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338808-B1 Alkyl salicylate resin for carbonless copy paper and imaging use SCHENECTADY INT INC (US) 1995-08-23 EP disclosed
US-5017546-A Metallized phenolic resins SCHENECTADY INTERNATIONAL, INC. 1991-05-21 US disclosed
EP-0338808-A2 Alkyl salicylate resin for carbonless copy paper and imaging use SCHENECTADY INTERNATIONAL, INC. (US) 1989-10-25 EP disclosed