SCHEMBL7330230

SCHEMBL7330230

CC(NC(=O)C(CO)N(Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.43
MME P08473 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACE P12821 6/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKT1 P31749 2/20 0.41
ANPEP P15144 1/20 0.41
ECE1 P42892 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
SCHEMBL20576145 0.86 L3MBTL1 (0.48) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL9124694 0.86 L3MBTL1 (0.48) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL3397689 0.86 L3MBTL1 (0.48) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL8472422 0.79 ALDH1A1 (0.48) MEN1KMT2AACEALDH1A1LMNA
SCHEMBL8472423 0.79 ALDH1A1 (0.48) MEN1KMT2AACEALDH1A1LMNA
SCHEMBL18359864 0.79 ALDH1A1 (0.48) MEN1KMT2AACEALDH1A1LMNA
SCHEMBL31667777 0.79 L3MBTL1 (0.50) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL4526992 0.79 L3MBTL1 (0.50) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL3819738 0.78 REN (0.43) MMEACEALDH1A1
SCHEMBL25852154 0.78 KMT2A (0.59) MEN1KMT2AALDH1A1LMNAPOLB

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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed