SCHEMBL776293

SCHEMBL776293

COC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.61
ALDH1A1 P00352 1/20 0.56
THRB P10828 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ATM Q13315 2/20 0.54
CTSC P53634 1/20 0.52
BIRC2 Q13490 2/20 0.51
MME P08473 1/20 0.50
ANPEP P15144 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.49
SLC15A1 P46059 1/20 0.49
CTSD P07339 1/20 0.48

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
SCHEMBL5491497 0.91 OPRK1 (0.60) OPRK1ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL776292 0.91 OPRK1 (0.60) OPRK1ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL10891822 0.91 OPRK1 (0.60) OPRK1ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL28231245 0.90 OPRK1 (0.69) OPRK1ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7139809 0.90 OPRK1 (0.69) OPRK1ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL30581395 0.90 OPRK1 (0.69) OPRK1ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL30581396 0.90 OPRK1 (0.69) OPRK1ALDH1A1THRBCYP2C9CYP2C19
Aspartame SCHEMBL10635593 0.89 ALDH1A1 (0.64) OPRK1ALDH1A1THRBCYP2C9CYP2C19
Aspartame SCHEMBL216238 0.89 ALDH1A1 (0.64) OPRK1ALDH1A1THRBCYP2C9CYP2C19
Aspartame SCHEMBL10625481 0.89 ALDH1A1 (0.64) OPRK1ALDH1A1THRBCYP2C9CYP2C19

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-2418971-B1 TREHALULOSE-CONTAINING COMPOSITION, ITS PREPARATION AND USE Südzucker AG Mannheim/Ochsenfurt (DE) 2017-09-06 EP disclosed
US-9744184-B2 Trehalulose-containing composition, its preparation and use SUDZUCKER AKTIENGESELLSCHAFT MANNHEIM/OCHSENFURT (DE) 2017-08-29 US disclosed
US-9707249-B2 Trehalulose-containing composition, its preparation and use SUDZUCKER AKTIENGESELLSCHAFT MANNHEIM/OCHSENFURT (DE) 2017-07-18 US disclosed
US-20120070386-A1 TREHALULOSE-CONTAINING COMPOSITION, ITS PREPARATION AND USE SUDZUCKER AKTIENGESELLSCHAFT MANNHEIM/OCHSENFURT (DE) 2012-03-22 US disclosed
US-20100267658-A1 Trehalulose-containing composition, its preparation and use SUDZUCKER AKTIENGESELLSCHAFT MANNHEIM/OCHSENFURT (DE) 2010-10-21 US disclosed
US-5578339-A ENZYMATICALLY CONVERTED SUCROSE SUDZUCKER AKTIENGESELLSCHAFT MANNHEIM/OCHSENFURT (DE) 1996-11-26 US disclosed