SCHEMBL6590160

SCHEMBL6590160

CC(C)(C)OC(=O)Oc1cc2c(I)c(F)ccc2n1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
ELANE P08246 1/20 0.33
TRPV3 Q8NET8 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
APP P05067 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
SCHEMBL6589871 0.91 GABRG2 (0.42) GABRG2GABRB3GABRA5ELANETRPV3
SCHEMBL20168569 0.73 NR1H2 (0.46) ELANE
SCHEMBL6591084 0.73 TRPV3 (0.32) GABRG2GABRB3GABRA5TRPV3
SCHEMBL6593265 0.72
SCHEMBL6590950 0.70
SCHEMBL17286544 0.63 ELANE (0.57) ELANEAPP
SCHEMBL14765171 0.61 NR1H2 (0.39) GABRG2GABRB3GABRA5TRPV3CHRM2
SCHEMBL10064601 0.61 GABRG2 (0.72) GABRG2GABRB3GABRA5CHRM2CHRM4
SCHEMBL17355754 0.61 ELANE (0.54) ELANEAPP
SCHEMBL23723352 0.60 CDK1 (0.47) GABRG2GABRB3GABRA5CHRM2CHRM4

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-1358180-B1 NAPHTHOSTYRIL DERIVATIVES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES HOFFMANN LA ROCHE (CH) 2004-12-01 EP claimed