SCHEMBL8095087

SCHEMBL8095087

O=C(O)c1[nH]c2c(c1Cc1ccc(Cl)c(Cl)c1)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.42
KDM4A O75164 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
MAPT P10636 4/20 0.40
TP53 P04637 1/20 0.40
HAO1 Q9UJM8 1/20 0.39
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GFER P55789 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGFR P43088 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 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
SCHEMBL8093064 0.83 PTK2 (0.47) RNASEH1KDM4AKDM5AKDM5BMAPT
SCHEMBL7682574 0.72 KDM4A (0.43) RNASEH1KDM4AKDM5AKDM5BHAO1
SCHEMBL7680945 0.72 PTPRC (0.44) RNASEH1KDM4AKDM5AKDM5BMAPT
SCHEMBL7076761 0.72 MCL1 (0.48) RNASEH1KDM4AKDM5AKDM5BMAPT
SCHEMBL7074236 0.70 POLB (0.47) POLB
SCHEMBL8089595 0.69 MAPT (0.46) MAPTTP53ALDH1A1POLBALOX15
Ethyne SCHEMBL7605585 0.68 GPR17 (0.45) RNASEH1KDM4AKDM5AKDM5BGPR17
SCHEMBL7592453 0.68 GPR35 (0.43) RNASEH1NPSR1GPR17
SCHEMBL7072708 0.68 GPR17 (0.61) MAPTALDH1A1POLBALOX15HSD17B10
SCHEMBL27873446 0.67 PTPRG (0.56) RNASEH1KDM4AKDM5AKDM5BMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054667-A1 BICYCLIC PYRROLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIINFLAMMATORY AND IMMUNOMODULATING AGENTS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
WO-1999040913-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed