SCHEMBL4490045

SCHEMBL4490045

COc1ccc(-c2[nH]c(C=O)c(C(=O)O)c2C(C)Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
GFER P55789 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
MMP1 P03956 2/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL4494581 0.90 ESR1 (0.38) ALDH1A1MEN1KMT2ALDHARAB9A
SCHEMBL4485738 0.89 MTNR1A (0.41) ALDH1A1KMT2AHPGD
SCHEMBL4485668 0.85 ALDH1A1 (0.39) ALDH1A1
SCHEMBL4504906 0.83 MEN1 (0.45) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL4482572 0.83 PPARG (0.41) PPARGPPARAALDH1A1KDM4EHPGD
SCHEMBL4559834 0.81 PPARG (0.41) PPARGPPARAALDH1A1MAPTMEN1
SCHEMBL4492334 0.79 TAAR1 (0.36) MEN1KMT2ACYP1A2HPGDLDHA
SCHEMBL4504872 0.79 LDHA (0.38) PPARGPPARAMEN1KMT2ALDHA
SCHEMBL4481909 0.77 KDM4E (0.40) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4485206 0.77 ALDH1A1 (0.32) ALDH1A1MAPTMEN1GFERKMT2A

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-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US claimed