SCHEMBL4482502

SCHEMBL4482502

CC(C)c1c(C#CC(C)(O)c2ccccc2)[nH]c(C=O)c1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4490395 0.84
SCHEMBL4489156 0.81 FFAR1 (0.37) ALDH1A1RAB9A
SCHEMBL4495537 0.75 ERN1 (0.39)
SCHEMBL4481374 0.74 ALDH1A1 (0.41) FLT4ALDH1A1RAB9A
SCHEMBL4494939 0.70
SCHEMBL4491011 0.70 SMN1; SMN2 (0.44) ALDH1A1RAB9A
SCHEMBL4497337 0.69
SCHEMBL4486266 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4480914 0.64 LDHA (0.33) ALDH1A1
SCHEMBL4492959 0.64 CA12 (0.41) ALDH1A1RAB9A

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