SCHEMBL4480832

SCHEMBL4480832

CCc1c(C2(C)CCCC2)[nH]c(C=O)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.34
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4505680 0.99 IGF1R (0.34) IGF1RALDH1A1POLBKMT2A
SCHEMBL4756903 0.71 IGF1R (0.40) IGF1RALDH1A1POLBKMT2A
SCHEMBL4499054 0.65 IGF1R (0.35) IGF1RALDH1A1POLBKMT2A
SCHEMBL13919312 0.64 IGF1R (0.48) IGF1RALDH1A1POLBKMT2A
SCHEMBL4208158 0.64 IGF1R (0.76) IGF1RALDH1A1POLBKMT2A
SCHEMBL4498917 0.61 IGF1R (0.54) IGF1RALDH1A1POLBKMT2A
SCHEMBL7122223 0.60 IGF1R (0.71) IGF1RALDH1A1POLBKMT2A
SCHEMBL5403308 0.60 LMNA (0.45) IGF1RALDH1A1POLBKMT2A
SCHEMBL5415486 0.60 ALDH1A1 (0.45) IGF1RALDH1A1POLBKMT2A
SCHEMBL9735543 0.59 IGF1R (0.37) IGF1RALDH1A1POLBKMT2A

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