SCHEMBL7377271

SCHEMBL7377271

COC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(Cc1ccccc1)C(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
CTSS P25774 3/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSK P43235 2/20 0.40
AKT1 P31749 1/20 0.40
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
ANPEP P15144 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL10713161 0.92 L3MBTL1 (0.43) CTSSCTSKL3MBTL1MMEACE
SCHEMBL7383447 0.92 ACE (0.46) CTSSCTSLCTSBCTSKAKT1
SCHEMBL7374304 0.88 MMEL1 (0.51) L3MBTL1MMEACE
SCHEMBL7373720 0.88 MMEL1 (0.51) L3MBTL1MMEACE
SCHEMBL10646158 0.87 KMT2A (0.45) CTSSCTSLCTSKKMT2AMME
SCHEMBL7383300 0.87 MMEL1 (0.52) CTSSCTSKL3MBTL1MMEACE
SCHEMBL11072158 0.82 ALDH1A1 (0.41) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL7373739 0.82 MME (0.48) POLBALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL7381161 0.81 TACR1 (0.48) POLBCTSSCTSLCTSBCTSK
SCHEMBL10449998 0.81 CTSL (0.40) POLBCTSSCTSLCTSBCTSK

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
US-4906615-A Substituted dipeptides as inhibitors of enkephalinases SCHERING CORPORATION (US) 1990-03-06 US disclosed
US-4610816-A ANALGESICS SCHERING CORPORATION (US) 1986-09-09 US disclosed