SCHEMBL14628657

SCHEMBL14628657

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
PLA2G2A P14555 2/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
SIRT1 Q96EB6 1/20 0.36
PLA2G1B P04054 2/20 0.35
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ADRB2 P07550 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL14628606 0.88 PLA2G2A (0.38) DDB1CRBNPLA2G2AKDM4EALDH1A1
SCHEMBL14628639 0.85 DDB1 (0.39) DDB1CRBNPLA2G2AKDM4EALDH1A1
SCHEMBL14628656 0.85 MAPKAPK2 (0.45) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL14628607 0.84 DDB1 (0.38) DDB1CRBNPLA2G2AKDM4EALDH1A1
SCHEMBL14598623 0.76 MAPKAPK2 (0.45) DDB1CRBNKDM4EALDH1A1HPGD
SCHEMBL14628655 0.75 SIRT1 (0.44) KDM4EALDH1A1MAPTSIRT1MEN1
SCHEMBL14628640 0.73 PLA2G2A (0.37) DDB1CRBNPLA2G2AKDM4EALDH1A1
SCHEMBL5507320 0.72 PLA2G2A (0.59) PLA2G2APLA2G1B
SCHEMBL14628608 0.72 PTGIR (0.38) DDB1CRBNPLA2G2AKDM4EALDH1A1
SCHEMBL14628603 0.70 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10MAPT

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