SCHEMBL10885689

SCHEMBL10885689

CCCc1c(C(N)=O)c(Oc2ccccc2)c(CC(=O)O)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.38
PPARG P37231 1/20 0.38
PARP10 Q53GL7 1/20 0.37
EGFR P00533 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
SRD5A2 P31213 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR1 O14842 1/20 0.35
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CAMK2A Q9UQM7 1/20 0.34
LCK P06239 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL10603341 0.82 LTA4H (0.38) CTNNB1PPARGPARP10KDM4EALDH1A1
SCHEMBL10885684 0.74 ESR1 (0.44) PPARGKDM4EALDH1A1SRD5A2MAPT
SCHEMBL10885694 0.74 PPARG (0.43) PPARGKDM4EALDH1A1SRD5A2HPGD
SCHEMBL27642206 0.72 SCN9A (0.45) CTNNB1PARP10KDM4EALDH1A1GAA
SCHEMBL797755 0.70 KDM4E (0.50) PPARGEGFRKDM4EALDH1A1GAA
SCHEMBL16915231 0.69 CTNNB1 (0.47) CTNNB1PARP10ALDH1A1SRD5A2
SCHEMBL6364973 0.66 NR4A2 (0.46) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL30130273 0.65 KDM4E (0.59) EGFRKDM4EALDH1A1GAAMAPT
SCHEMBL7826233 0.65 KDM4E (0.59) EGFRKDM4EALDH1A1GAAMAPT
SCHEMBL17045016 0.65 LTA4H (0.47) CTNNB1PARP10MAPTMEN1KMT2A

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
EP-0032286-B1 METHOD FOR ANALYSIS FOR A MEMBER OF AN IMMUNOLOGICAL PAIR USING A TEST SURFACE; KIT AND TEST SURFACE MATERIAL THEREFOR SYVA COMPANY (US) 1986-01-08 EP disclosed