SCHEMBL9640002

SCHEMBL9640002

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
ESR1 P03372 2/20 0.41
SERPINE1 P05121 2/20 0.40
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
PRKCI P41743 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
LMNA P02545 4/20 0.38
MAPT P10636 3/20 0.38
XBP1 P17861 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 2/20 0.37
FUT7 Q11130 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL9639626 0.87 PTPN1 (0.41) HDAC1PRKCIPTPN1PTPN11LMNA
SCHEMBL9638964 0.86 PTGS2 (0.49) HDAC1PRKCILMNAMAPTXBP1
SCHEMBL9639008 0.79 HDAC1 (0.47) HDAC1PRKCIPTPN1PTPN11LMNA
SCHEMBL9639029 0.79 PTPN1 (0.55) PRKCIPTPN1PTPN11LMNAMAPT
SCHEMBL9639605 0.78 PRKCI (0.46) PRKCIPTPN1PTPN11MAPTKDM4E
SCHEMBL1173779 0.78 PTPN1 (0.47) AKR1C2AKR1C1PRKCIPTPN1PTPN11
SCHEMBL9638915 0.77 CA12 (0.45) PRKCIPTPN1PTPN11LMNAMAPT
SCHEMBL9640277 0.77 HSP90AB1 (0.49) SERPINE1PTPN1PTPN11LMNAMAPT
SCHEMBL9638961 0.77 HDAC1 (0.70) HDAC1SERPINE1PTPN1LMNAMAPT
SCHEMBL8430837 0.75 BCL2 (0.59) HDAC1PTPN1L3MBTL1

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
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