SCHEMBL8466539

SCHEMBL8466539

CCCc1cc(F)c(C(=O)Oc2c(CCC)cc(F)c(C(=O)O)c2[N+](=O)[O-])cc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.38
PTPN11 Q06124 3/20 0.38
PTPN2 P17706 1/20 0.38
COMT P21964 3/20 0.35
HMGCR P04035 2/20 0.34
MAPT P10636 3/20 0.32
PTGES O14684 2/20 0.32
LMNA P02545 2/20 0.32
TOP2A P11388 1/20 0.32
XBP1 P17861 1/20 0.32
HIF1A Q16665 1/20 0.32
PKM P14618 1/20 0.32
PIM1 P11309 1/20 0.31
CDK2 P24941 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL8466537 0.82 PTPN1 (0.40) PTPN1PTPN11PTPN2COMTMAPT
SCHEMBL8160322 0.78 PTPN1 (0.43) PTPN1PTPN11PTPN2COMTMAPT
SCHEMBL8154162 0.72 PTPN1 (0.49) PTPN1PTPN11PTPN2HMGCRMAPT
SCHEMBL5587114 0.70 PTPN1 (0.49) PTPN1PTPN11PTPN2COMT
SCHEMBL5587190 0.63 BID (0.43) PTPN1PTPN11COMTMAPTPTGES
SCHEMBL5590085 0.63 CA1 (0.41) PTPN1PTPN11COMTMAPTHIF1A
SCHEMBL5590143 0.62 BID (0.48) PTPN1MAPTPTGESTOP2AKDM4E
SCHEMBL5587709 0.62 PTPN1 (0.51) PTPN1PTPN11PTPN2HMGCRPTGES
SCHEMBL4674060 0.62 CA1 (0.44) MAPTLMNAPKMCDK2KDM4E
SCHEMBL5587237 0.61 BID (0.50) PTPN1MAPTPTGESTOP2AKDM4E

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