SCHEMBL8713798

SCHEMBL8713798

CCc1ccc(CC(C)[C@@H](N)[C@H](O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2C P18825 1/20 0.49
HIF1A Q16665 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TRPA1 O75762 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
AOC3 Q16853 3/20 0.41
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL8713801 1.00 LMNA (0.49) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL8714017 0.90 CYP2D6 (0.58) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL8714019 0.90 CYP2D6 (0.58) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL8713318 0.88 ALDH1A1 (0.52) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL8713316 0.88 ALDH1A1 (0.52) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL8716602 0.88 LMNA (0.49) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL8714227 0.88 TAAR1 (0.51) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL8714224 0.88 TAAR1 (0.51) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL8716605 0.88 LMNA (0.49) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL8716601 0.84 SLC6A4 (0.53) 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
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed