SCHEMBL2489935

SCHEMBL2489935

CCCOc1ccc(F)c2c(=O)c(-c3ccc(O)cc3)c(CC)n(OC(C)=O)c12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGAM O43451 5/20 0.33
GAA P10253 5/20 0.33
SI P14410 5/20 0.33
MGAM2 Q2M2H8 5/20 0.33
ACE2 Q9BYF1 1/20 0.32
FFAR1 O14842 1/20 0.31
PREP P48147 2/20 0.30
CELA1 Q9UNI1 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
SCHEMBL2489539 0.91 CHRM1 (0.37) FFAR1
SCHEMBL2460915 0.79 MGAM (0.34) MGAMGAASIMGAM2ACE2
SCHEMBL2461978 0.71 CHRM1 (0.40) MGAMGAASIMGAM2FFAR1
SCHEMBL27844048 0.71 MET (0.33) MGAMGAASIMGAM2ACE2
SCHEMBL2581722 0.71 MGAM (0.34) MGAMGAASIMGAM2ACE2
SCHEMBL2464167 0.69 ESR1 (0.34)
SCHEMBL2581745 0.69 MGAM (0.36) MGAMGAASIMGAM2ACE2
SCHEMBL2489936 0.69 PIN1 (0.37) MGAMGAASIMGAM2
SCHEMBL2462829 0.68 GRIA2 (0.44) FFAR1
SCHEMBL2461073 0.65 SMN1; SMN2 (0.39) MGAMGAASIMGAM2

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
EP-2364298-A1 Quinolone compound and pharmaceutical composition Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed