SCHEMBL13865136

SCHEMBL13865136

CCc1c(C(=O)OC(C)(C)C)[nH]c(C=O)c1C

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.71
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
MAPK1 P28482 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
SCHEMBL29954320 0.86 IGF1R (0.59) IGF1RPOLBALDH1A1KMT2ACYP1A2
SCHEMBL4205764 0.84 IGF1R (0.66) IGF1RPOLBALDH1A1KMT2ACYP1A2
SCHEMBL94996 0.83 IGF1R (1.00) IGF1RPOLBALDH1A1KMT2ACYP1A2
SCHEMBL4199341 0.83 ALDH1A1 (0.65) IGF1RPOLBALDH1A1KMT2ACYP1A2
SCHEMBL13919302 0.83 IGF1R (0.76) IGF1RPOLBALDH1A1KMT2ARAB9A
SCHEMBL4208158 0.83 IGF1R (0.76) IGF1RPOLBALDH1A1KMT2A
SCHEMBL4494376 0.82 IGF1R (0.79) IGF1RPOLBALDH1A1KMT2ARAB9A
SCHEMBL14195910 0.80 IGF1R (0.80) IGF1RPOLBALDH1A1KMT2ACYP1A2
SCHEMBL4206559 0.79 IGF1R (0.60) IGF1RPOLBALDH1A1KMT2ARAB9A
SCHEMBL4200301 0.78 IGF1R (0.58) IGF1RPOLBALDH1A1KMT2ACYP1A2

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-7538231-B2 Tyrosine kinase inhibitors MERCK & CO, INC. (US) 2009-05-26 US disclosed