SCHEMBL3469149

SCHEMBL3469149

CC(O)C(N)C(NCC#CC1CC1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.35
AOC3 Q16853 2/20 0.34
BCHE P06276 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
ANPEP P15144 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MAN2A1 Q16706 2/20 0.32
MAN1B1 Q9UKM7 2/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6895263 0.75 KDM4E (0.43) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL6894924 0.75 KDM4E (0.43) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL6895745 0.74 LMNA (0.47) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL6895959 0.73 ADRA2C (0.47) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL6894568 0.73 CYP3A4 (0.44) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL6893034 0.72 HPGD (0.53) KDM4EALDH1A1CYP3A4HPGDCYP2C19
SCHEMBL6889436 0.71 SIGMAR1 (0.49) LMNAADRA2AHIF1AALDH1A1AOC3
SCHEMBL6895074 0.70 HPGD (0.44) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL7360281 0.70 KDM4E (0.40) LMNAADRA2AADRA2CHIF1AKDM4E
Hydrochloric Acid SCHEMBL4691512 0.70 KMT2A (0.52) LMNAADRA2AADRA2CHIF1AKDM4E

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-2010107384-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-09-23 WO disclosed