SCHEMBL8532871

SCHEMBL8532871

O=C(O)CC(C(=O)OC(Cc1ccccc1)c1ccccc1)n1cnc(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KDM4C Q9H3R0 2/20 0.39
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
MMEL1 Q495T6 2/20 0.38
CAPN1 P07384 1/20 0.37
FFAR1 O14842 6/20 0.36
HDAC8 Q9BY41 1/20 0.35
PTPN1 P18031 1/20 0.35
PPARG P37231 3/20 0.34
PPARA Q07869 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP17A1 P05093 1/20 0.34
CTSA P10619 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
SCHEMBL8533383 0.98 POLB (0.41) POLBMAPTKDM4CKDM5AKDM5B
SCHEMBL8530656 0.91 MAPT (0.42) MAPTKDM4CKDM5AKDM5BFFAR1
SCHEMBL8796844 0.84 POLB (0.43) POLBMAPTKDM4CKDM5AKDM5B
SCHEMBL8532864 0.76 CYP1A2 (0.40) MAPTKDM4CKDM5AKDM5B
SCHEMBL8797564 0.76 MCL1 (0.46) POLBMAPTFFAR1
SCHEMBL8528989 0.75 CYP1A2 (0.41) POLBMAPTKDM4CKDM5AKDM5B
SCHEMBL8533380 0.73 CYP2C9 (0.42) POLBMAPTKDM4CKDM5AKDM5B
SCHEMBL8532755 0.72 CYP1A2 (0.43) POLBMAPTKDM4CKDM5AKDM5B
SCHEMBL8531978 0.69 MCL1 (0.45)
SCHEMBL8530651 0.68 DHODH (0.45) MAPTFFAR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773428-A BONE DISORDERS SYNTEX (U.S.A.) INC. (US) 1998-06-30 US disclosed
EP-0807114-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-11-19 EP disclosed
WO-1996023791-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-08-08 WO disclosed