SCHEMBL16614211

SCHEMBL16614211

Cc1c(Sc2cccc(C(=O)OI)c2)c2ccc(Cl)c(F)c2n1CC(=O)N1CCCC(O)(C(F)(F)F)C1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 18/20 0.60
LOXL2 Q9Y4K0 1/20 0.36
AKR1B1 P15121 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL16600540 0.91 ENPP2 (0.71) ENPP2AKR1B1PTGDR2
SCHEMBL16600286 0.88 ENPP2 (0.73) ENPP2AKR1B1PTGDR2
SCHEMBL16600507 0.85 ENPP2 (0.70) ENPP2AKR1B1PTGDR2
SCHEMBL17943019 0.82 ENPP2 (0.73) ENPP2AKR1B1PTGDR2
SCHEMBL16600385 0.82 ENPP2 (0.76) ENPP2
SCHEMBL16600380 0.81 ENPP2 (0.75) ENPP2
SCHEMBL16600335 0.80 ENPP2 (0.80) ENPP2AKR1B1PTGDR2
SCHEMBL16600297 0.80 ENPP2 (0.79) ENPP2AKR1B1PTGDR2
SCHEMBL16601178 0.79 ENPP2 (0.87) ENPP2AKR1B1PTGDR2
SCHEMBL16600277 0.79 ENPP2 (0.54) ENPP2

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
WO-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 WO disclosed