SCHEMBL8741676

SCHEMBL8741676

CC(C)(C)OC(=O)N[C@@](S)(CCN1CCC[C@H]1C(=O)O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.44
KCNA3 P22001 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KLK5 Q9Y337 1/20 0.41
LTA4H P09960 2/20 0.40
SLC6A9 P48067 4/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.37
CMA1 P23946 1/20 0.37
CD274 Q9NZQ7 2/20 0.36

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
SCHEMBL24168885 0.74 LTA4H (0.56) ACESMN1; SMN2KLK5LTA4HALDH1A1
SCHEMBL22459109 0.74 LTA4H (0.56) ACESMN1; SMN2KLK5LTA4HALDH1A1
SCHEMBL22459103 0.74 LTA4H (0.56) ACESMN1; SMN2KLK5LTA4HALDH1A1
SCHEMBL8740713 0.73 ACE (0.48) ACEKCNA3SMN1; SMN2KLK5KMT2A
SCHEMBL8740712 0.73 ACE (0.48) ACEKCNA3SMN1; SMN2KLK5KMT2A
SCHEMBL20545129 0.73 EPHX1 (0.46) ACESMN1; SMN2ALDH1A1KMT2ACYP2C19
SCHEMBL7849694 0.72 MAPT (0.39) KCNA3KMT2ACYP2C19
SCHEMBL8740715 0.71 ACE (0.47) ACEKCNA3SMN1; SMN2KLK5CMA1
SCHEMBL7267752 0.70 ACE (0.60) ACEKLK5KMT2ACMA1
SCHEMBL7393230 0.70 ACE (0.60) ACEKLK5KMT2ACMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784473-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1997-12-17 EP disclosed
EP-0784473-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-23 EP disclosed
WO-1996009820-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO disclosed