SCHEMBL9402736

SCHEMBL9402736

CCCCCCCCCCCCCCCCCCOc1ccc(OCCCc2ccccc2)c(C(=O)Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 8/20 0.54
PPARG P37231 3/20 0.52
PTGES O14684 2/20 0.52
ALOX5 P09917 2/20 0.52
MEN1 O00255 1/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
CHRM2 P08172 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2A P08913 1/20 0.48
MAPT P10636 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PLA2G4B P0C869 2/20 0.47
PPARA Q07869 1/20 0.47
FFAR1 O14842 1/20 0.46

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
SCHEMBL9402553 0.91 PTPN11 (0.62) PTPN11PPARGPTGESALOX5PLA2G4B
Hydrochloric Acid SCHEMBL9402741 0.89 PTPN11 (0.61) PTPN11PPARGPTGESALOX5MEN1
SCHEMBL9402532 0.89 PTPN11 (0.55) PTPN11MEN1NR1I2LMNACHRM2
SCHEMBL9402708 0.89 PTPN11 (0.55) PTPN11MEN1NR1I2LMNACHRM2
SCHEMBL9402543 0.87 PTPN11 (0.53) PTPN11PPARGPTGESALOX5MEN1
SCHEMBL9402567 0.84 PTPN11 (0.50) PTPN11PPARGPTGESALOX5MEN1
SCHEMBL9672799 0.82 FFAR1 (0.53) LMNASLC6A3HDAC6PLA2G4BFFAR1
SCHEMBL9402535 0.81 PPARG (0.48) PTPN11PPARGPTGESALOX5PLA2G4B
SCHEMBL9402836 0.81 MGLL (0.48) FFAR1
SCHEMBL25788077 0.80 PTPN11 (0.67) PTPN11PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5298652-A N-substituted glycines, inhibitors of phospholipase A2 HOFFMANN-LA ROCHE INC. (US) 1994-03-29 US disclosed