SCHEMBL21857724

SCHEMBL21857724

Nc1cc(-c2cc(F)c(F)cc2F)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.53
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KMT2A Q03164 3/20 0.46
GFER P55789 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ACMSD Q8TDX5 2/20 0.45
MEN1 O00255 2/20 0.45
USP2 O75604 2/20 0.45
DHFR P00374 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.45
TTR P02766 1/20 0.45
ALB P02768 1/20 0.45
HMGB1 P09429 1/20 0.45
CXCL12 P48061 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL12394324 0.84 KDM4E (0.66) PPM1BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5191893 0.83 PPM1B (0.60) PPM1BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL148241 0.82 ACMSD (0.65) PPM1BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30611811 0.82 ACMSD (0.65) PPM1BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL21857213 0.81 PPM1B (0.50) PPM1BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29436316 0.80 PPM1B (0.75) PPM1BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL710309 0.80 PPM1B (0.75) PPM1BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL23499274 0.78 PPM1B (0.79) PPM1BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29908977 0.78 PPM1B (0.79) PPM1BKDM4EALDH1A1HPGDHSD17B10
SCHEMBL21857594 0.77 PPM1B (0.67) PPM1BKDM4EALDH1A1HPGDHSD17B10

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
WO-2020080979-A1 PFKFB3 INHIBITORS AND THEIR USES GERO DISCOVERY LIMITED LIABILITY COMPANY (RU) 2020-04-23 WO disclosed