SCHEMBL14628604

SCHEMBL14628604

COc1cccc2[nH]c3c(c12)C(C=O)CC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MAPKAPK2 P49137 1/20 0.42
PARP1 P09874 1/20 0.41
MAPK10 P53779 1/20 0.38
RIPK1 Q13546 1/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 6/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.37
GALR3 O60755 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
PDE5A O76074 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL14628610 0.83 MAPKAPK2 (0.41) HTR2CABCG2MAPKAPK2PARP1KDM4E
SCHEMBL4904443 0.79 HTR2C (0.47) HTR2CABCG2MAPKAPK2PARP1MAPK10
SCHEMBL14628656 0.78 MAPKAPK2 (0.45) HTR2CABCG2MAPKAPK2PARP1MAPK10
SCHEMBL14598623 0.78 MAPKAPK2 (0.45) HTR2CABCG2MAPKAPK2PARP1KDM4E
SCHEMBL14628631 0.77 HTR2C (0.42) HTR2CABCG2MAPKAPK2PARP1MAPK10
SCHEMBL14628611 0.77 HTR2C (0.42) HTR2CABCG2MAPKAPK2PARP1MAPK10
SCHEMBL14628630 0.74 HTR2C (0.39) HTR2CABCG2MAPKAPK2PARP1MAPK10
SCHEMBL16585852 0.74 MAPKAPK2 (0.43) HTR2CABCG2MAPKAPK2PARP1KDM4E
SCHEMBL14628605 0.73 MAPKAPK2 (0.43) HTR2CABCG2MAPKAPK2PARP1KDM4E
SCHEMBL14628603 0.72 ALDH1A1 (0.41) 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