SCHEMBL8466537

SCHEMBL8466537

CCCc1cc(F)c(C(=O)O)c([N+](=O)[O-])c1O.CCCc1cc(F)c(C(=O)O)cc1O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.40
PTPN11 Q06124 3/20 0.40
CDK2 P24941 4/20 0.37
COMT P21964 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
HIF1A Q16665 1/20 0.34
PTPN2 P17706 2/20 0.34
GPR35 Q9HC97 1/20 0.33
PIM1 P11309 1/20 0.32
RARB P10826 2/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
MCL1 Q07820 1/20 0.32
PKM P14618 1/20 0.32
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32

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
SCHEMBL8160322 0.92 PTPN1 (0.43) PTPN1PTPN11COMTMAPTPTPN2
SCHEMBL8466539 0.82 PTPN1 (0.38) PTPN1PTPN11CDK2COMTLMNA
SCHEMBL8154162 0.81 PTPN1 (0.49) PTPN1PTPN11LMNAMAPTXBP1
SCHEMBL5587114 0.76 PTPN1 (0.49) PTPN1PTPN11COMTPTPN2MCL1
SCHEMBL8161795 0.71 GPR35 (0.47) PTPN1CDK2LMNAMAPTHIF1A
SCHEMBL27884911 0.70 HTT (0.41) PTPN1PTPN11COMTGPR35
Hydrochloric Acid SCHEMBL8154209 0.69 PTPN1 (0.46) PTPN1PTPN11LMNAMAPTXBP1
SCHEMBL5587190 0.69 BID (0.43) PTPN1PTPN11COMTMAPTMCL1
SCHEMBL5590085 0.69 CA1 (0.41) PTPN1PTPN11CDK2COMTMAPT
SCHEMBL8374510 0.68 PPARA (0.41) MCL1

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-5883129-A Hydroxylated anthranilic acid derivatives ASTRA AKTIEBOLAG (SE) 1999-03-16 US disclosed