SCHEMBL4729644

SCHEMBL4729644

COc1ncccc1C=CC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 1/20 0.38

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
SCHEMBL8215908 0.85 CNR2 (0.36) CNR2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL28357086 0.76 KDM4E (0.49) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL4732088 0.76 MEN1 (0.45) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL4728916 0.75 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL4726961 0.73 KMT2A (0.43) CNR2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6092527 0.72 HSD11B1 (0.54) CNR2MEN1KMT2AKDM4EHPGD
SCHEMBL8068014 0.72 JUN (0.51) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL6092331 0.72 JUN (0.51) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL6092082 0.72 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL4726429 0.72 LMNA (0.51) ALDH1A1MEN1KMT2AHTTSMN1; SMN2

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
WO-2008035049-A1 ADAMANTANYL-(CYCLOPROPYL)-KETONES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2008-03-27 WO disclosed