SCHEMBL7775513

SCHEMBL7775513

CC(CC(O)C(C)N)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.55
▸ ADRA2A P08913 1/20 0.55
▸ ADRA2C P18825 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ TRPA1 O75762 4/20 0.55
▸ ALDH1A1 P00352 1/20 0.53
▸ TAAR1 Q96RJ0 3/20 0.52
▸ AOC3 Q16853 3/20 0.47
▸ RIPK1 Q13546 1/20 0.41

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
SCHEMBL13335229 0.87 TRPA1 (0.63) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL7691241 0.83 TRPA1 (0.59) LMNAADRA2AADRA2CHIF1AKDM4E
Hydrochloric Acid SCHEMBL31706544 0.82 TRPA1 (0.57) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL5889634 0.79 LMNA (0.50) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL5889632 0.79 LMNA (0.50) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL4433686 0.79 TAAR1 (0.60) LMNAADRA2AADRA2CHIF1ATRPA1
SCHEMBL4582172 0.79 TRPA1 (0.63) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL2418955 0.79 TRPA1 (0.63) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL6014452 0.79 TAAR1 (0.60) LMNAADRA2AADRA2CHIF1ATRPA1
SCHEMBL27360069 0.79 TAAR1 (0.60) LMNAADRA2AADRA2CHIF1ATRPA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784050-B1 Novel aspartylamide derivatives and sweeteners AJINOMOTO KK (JP) 2001-10-04 — — EP disclosed
EP-0784050-A1 Novel aspartylamide derivatives and sweeteners Ajinomoto Co., Inc. (JP) 1997-07-16 — — EP disclosed
Send feedback