SCHEMBL5889632

SCHEMBL5889632

CC[C@@H](C[C@H](O)[C@@H](C)N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ ADRA2C P18825 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ TRPA1 O75762 4/20 0.42
▸ AOC3 Q16853 3/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ REN P00797 1/20 0.37
▸ CCR5 P51681 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
SCHEMBL5889634 1.00 LMNA (0.50) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL7782645 0.86 LMNA (0.47) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL7779981 0.81 LMNA (0.46) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL7042726 0.81 LMNA (0.54) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL7775513 0.79 LMNA (0.55) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL16537552 0.77 LMNA (0.54) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL1774828 0.77 LMNA (0.46) LMNAALDH1A1TRPA1TAAR1CCR5
SCHEMBL502912 0.76 TRPA1 (0.47) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL3619718 0.76 TRPA1 (0.47) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL3619720 0.76 TRPA1 (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115296-B2 N-alkylaspartyl amide derivative and sweetening agent AJINOMOTO CO., INC. (JP) 2006-10-03 — — US disclosed
US-20040071851-A1 Novel N-alkylaspartyl amide derivative and sweetening agent AJINOMOTO CO. INC (JP) 2004-04-15 — — US disclosed
US-6010733-A ARTIFICIAL SWEETENER AJINOMOTO CO., INC. (JP) 2000-01-04 — — US disclosed
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