SCHEMBL10068447

SCHEMBL10068447

N[C@H](C=O)CCc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
TAAR1 Q96RJ0 4/20 0.47
SLC6A2 P23975 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR3A P46098 1/20 0.47
BACE1 P56817 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA2 P00918 1/20 0.43
SLC7A5 Q01650 1/20 0.43
OPRK1 P41145 1/20 0.42
ADRB2 P07550 1/20 0.41
LTA4H P09960 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
SCHEMBL16234919 0.81 TAAR1 (0.47) TAAR1SLC6A2HTR3ACA2
SCHEMBL8007380 0.80 ANPEP (0.52) TAAR1ALDH1A1CYP2C19KMT2AANPEP
SCHEMBL1029067 0.80 ANPEP (0.52) TAAR1ALDH1A1CYP2C19KMT2AANPEP
SCHEMBL1013285 0.80 TAAR1 (0.55) ESR1ESR2TAAR1SLC6A2CA2
SCHEMBL3391050 0.80 ANPEP (0.52) TAAR1ALDH1A1CYP2C19KMT2AANPEP
SCHEMBL1013284 0.80 TAAR1 (0.55) ESR1ESR2TAAR1SLC6A2CA2
SCHEMBL1013283 0.80 TAAR1 (0.55) ESR1ESR2TAAR1SLC6A2CA2
SCHEMBL9000001 0.78 TAAR1 (0.53) ESR1ESR2TAAR1SLC6A2CA2
Hydrochloric Acid SCHEMBL7870676 0.78 TAAR1 (0.53) ESR1ESR2TAAR1SLC6A2BLM
SCHEMBL29084356 0.77 OPRK1 (0.50) ESR1ESR2TAAR1SLC6A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4649492-A1 ARTIFICIAL INTELLIGENCE (AI)-BASED PROTEIN ENGINEERING SYSTEMS AND METHODS FOR DESIGNING SYNTHETIC PROTEIN SEQUENCES Evozyne, Inc. (US) 2025-11-19 EP disclosed
WO-2024151579-A1 ARTIFICIAL INTELLIGENCE (AI)-BASED PROTEIN ENGINEERING SYSTEMS AND METHODS FOR DESIGNING SYNTHETIC PROTEIN SEQUENCES EVOZYNE, INC. (US) 2024-07-18 WO disclosed
EP-3052121-B1 WNT COMPOSITIONS AND METHODS FOR PURIFICATION UNIV LELAND STANFORD JUNIOR (US) 2023-02-22 EP disclosed
WO-2012173846-A2 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-12-20 WO disclosed
WO-2012021874-A1 PEPTIDOMIMETIC MACROCYCLES WITH THIOETHER LINKERS AILERON THERAPEUTICS, INC. (US) 2012-02-16 WO disclosed
WO-2012021876-A2 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-02-16 WO disclosed