SCHEMBL14628610

SCHEMBL14628610

COC(=O)/C=C\C1CCc2[nH]c3cccc(OC)c3c21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.41
KDM4E B2RXH2 10/20 0.40
ALDH1A1 P00352 10/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 5/20 0.39
HTR2C P28335 2/20 0.37
HSD17B10 Q99714 6/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
PARP1 P09874 1/20 0.36
EP300 Q09472 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
GAA P10253 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
SCHEMBL14628604 0.83 HTR2C (0.43) MAPKAPK2KDM4EALDH1A1MAPTHPGD
SCHEMBL14598623 0.78 MAPKAPK2 (0.45) MAPKAPK2KDM4EALDH1A1MAPTHPGD
SCHEMBL14628656 0.75 MAPKAPK2 (0.45) MAPKAPK2KDM4EALDH1A1MAPTHPGD
SCHEMBL14628611 0.72 HTR2C (0.42) MAPKAPK2KDM4EALDH1A1MAPTHPGD
SCHEMBL14628603 0.72 ALDH1A1 (0.41) MAPKAPK2KDM4EALDH1A1MAPTHPGD
SCHEMBL16585852 0.71 MAPKAPK2 (0.43) MAPKAPK2KDM4EALDH1A1MAPTHPGD
SCHEMBL14628605 0.71 MAPKAPK2 (0.43) MAPKAPK2KDM4EALDH1A1MAPTHPGD
SCHEMBL14598615 0.70 PLA2G2A (0.46) MTNR1AMTNR1B
SCHEMBL14628631 0.70 HTR2C (0.42) MAPKAPK2KDM4EALDH1A1MAPTHPGD
SCHEMBL14628630 0.69 HTR2C (0.39) MAPKAPK2KDM4EALDH1A1MAPTHPGD

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-7160909-B2 Cyclopenta[b]indole derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 2007-01-09 US disclosed