SCHEMBL13359259

SCHEMBL13359259

Cc1ccc(C(C)(C)C)cc1NC(=O)C1Cc2ccccc2S1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK14 Q16539 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 3/20 0.36
TRPV1 Q8NER1 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
PPARA Q07869 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL7982049 0.72 ALDH1A1 (0.39) ALDH1A1CYP2C9CYP2C19LMNAMAPT
SCHEMBL15828700 0.70 KIF11 (0.51) PPARGALDH1A1MAPK14HPGDHTT
SCHEMBL21568082 0.70 HTT (0.51) PPARGALDH1A1MEN1KMT2AHPGD
SCHEMBL15562919 0.69 ALDH1A1 (0.39) ALDH1A1CYP2C9CYP2C19MAPTNPSR1
SCHEMBL13849156 0.68 ALDH1A1 (0.52) PPARGALDH1A1MEN1CYP2C9KMT2A
SCHEMBL20436796 0.67 PPARG (0.63) PPARGALDH1A1MEN1KMT2AHPGD
SCHEMBL21264082 0.67 BTK (0.46) PPARGMEN1KMT2AHPGDHTT
SCHEMBL5732332 0.67 HPGD (0.46) PPARGALDH1A1CYP2C19HPGDHTT
SCHEMBL10443672 0.66 HSD17B10 (0.39) MEN1CYP2D6KMT2ACYP2C19HTT
SCHEMBL7599608 0.65 MAPT (0.54) ALDH1A1MEN1KMT2ALMNAMAPT

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-1497278-B1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-05-26 EP disclosed