SCHEMBL8655802

SCHEMBL8655802

CCOC(=O)C1Cn2c(cc3ccccc32)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
NOD2 Q9HC29 2/20 0.39
NOD1 Q9Y239 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.38
NR1H2 P55055 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL18202192 0.86 HSD17B10 (0.38) ALDH1A1KDM4EHPGDHSD17B10CHRM2
SCHEMBL1614269 0.84 MAPT (0.41) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8326257 0.83 KDM4E (0.42) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9256630 0.83 MAPT (0.41) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8328796 0.81 NOD2 (0.39) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL8658440 0.75 KDM4E (0.40) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8657539 0.74 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8447552 0.73 ALDH1A1 (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9262011 0.72 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8328343 0.72 ALDH1A1 (0.45) MAPTALDH1A1KDM4EHPGDHSD17B10

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-5721245-A ANTIINFLAMMATORY AGENTS, RESPIRATORY SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1998-02-24 US disclosed
US-5428043-A Tricyclic-cyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1995-06-27 US disclosed
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 EP disclosed