SCHEMBL6950893

SCHEMBL6950893

CC1CC(=O)c2c(OC(=O)Nc3ccc(F)cc3)coc2C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.44
FAAH O00519 10/20 0.38
HTR2A P28223 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6948393 0.70 MAPT (0.46) GAAALDH1A1FAAHMAPT
SCHEMBL6948428 0.69 FAAH (0.47) ALDH1A1FAAHMAPT
SCHEMBL6947210 0.67 NTRK3 (0.47) KDM4E
SCHEMBL6772243 0.65 RXFP1 (0.44) GAAALDH1A1KDM4EMAPT
SCHEMBL351647 0.63 ALDH1A1 (0.47) ALDH1A1KDM4EMAPT
SCHEMBL2095091 0.62 SMN1; SMN2 (0.67) ALDH1A1KDM4EFAAHMAPT
SCHEMBL6948327 0.61 HSD17B10 (0.54) ALDH1A1KDM4E
SCHEMBL632848 0.60 MEN1 (0.54) ALDH1A1FAAHMAPT
SCHEMBL10192034 0.60 FAAH (0.67) GAAALDH1A1KDM4EFAAHMAPT
Phenyl 4-Fluorophenylcarbamate SCHEMBL1892132 0.59 ALDH1A1 (0.70) GAAALDH1A1KDM4EFAAHMAPT

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-1030838-B1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PROD INC (US) 2003-01-22 EP claimed