SCHEMBL14628639

SCHEMBL14628639

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
PLA2G2A P14555 2/20 0.38
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
PLA2G1B P04054 2/20 0.35
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRB2 P07550 3/20 0.33
DRD2 P14416 3/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
TLR4 O00206 2/20 0.33
ADRA1B P35368 1/20 0.33
SLC22A2 O15244 1/20 0.33

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
SCHEMBL14628607 0.90 DDB1 (0.38) DDB1CRBNPLA2G2AKDM4EALDH1A1
SCHEMBL14628640 0.89 PLA2G2A (0.37) DDB1CRBNPLA2G2AKDM4EALDH1A1
SCHEMBL14628657 0.85 DDB1 (0.39) DDB1CRBNPLA2G2AKDM4EALDH1A1
SCHEMBL14628608 0.78 PTGIR (0.38) DDB1CRBNPLA2G2AKDM4EALDH1A1
SCHEMBL14628642 0.78 GAA (0.40) KDM4EALDH1A1MAPTGAAHTR2A
SCHEMBL14628605 0.77 MAPKAPK2 (0.43) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL14628603 0.75 ALDH1A1 (0.41) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL14628606 0.73 PLA2G2A (0.38) DDB1CRBNPLA2G2AKDM4EALDH1A1
SCHEMBL14598620 0.73 PLA2G2A (0.60) PLA2G2APLA2G1B
SCHEMBL14628611 0.72 HTR2C (0.42) KDM4EALDH1A1MAPTHPGDHSD17B10

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