SCHEMBL9639626

SCHEMBL9639626

CCCc1cc(C(=O)c2cc(O)cc(O)c2)c(O)c(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.41
PTPN11 Q06124 4/20 0.41
FASN P49327 1/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
PRKCI P41743 1/20 0.38
CA5A P35218 1/20 0.37
BCL2 P10415 2/20 0.36
MCL1 Q07820 2/20 0.36
DHFR P00374 1/20 0.35
RXRA P19793 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
HIF1A Q16665 1/20 0.35
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL9640002 0.87 HDAC1 (0.49) PTPN1PTPN11FASNCA12CA1
SCHEMBL9639029 0.83 PTPN1 (0.55) PTPN1PTPN11FASNPRKCILMNA
SCHEMBL9638964 0.80 PTGS2 (0.49) CA12CA1CA2CA7CA9
SCHEMBL1173779 0.78 PTPN1 (0.47) PTPN1PTPN11PRKCIMCL1LMNA
SCHEMBL9638915 0.77 CA12 (0.45) PTPN1PTPN11CA12CA1CA2
SCHEMBL9640277 0.77 HSP90AB1 (0.49) PTPN1PTPN11CA12CA1CA2
SCHEMBL9639008 0.76 HDAC1 (0.47) PTPN1PTPN11PRKCIMCL1LMNA
SCHEMBL2859228 0.75 HPGD (0.47) PTPN1PTPN11BCL2MCL1RXRA
SCHEMBL9639605 0.75 PRKCI (0.46) PTPN1PTPN11CA12CA1CA2
SCHEMBL9639958 0.74 FASN (0.45) FASNCA12CA1CA2CA7

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-0227487-B1 POSITIVE TYPE RADIATION-SENSITIVE RESIN COMPOSITION JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1992-07-15 EP disclosed
US-5087548-A POSITIVE TYPE RADIATION-SENSITIVE RESIN COMPOSITION JAPAN SYNTHETIC RUBBER CO., INC. (JP) 1992-02-11 US disclosed
EP-0227487-A2 Positive type radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1987-07-01 EP disclosed