SCHEMBL9175083

SCHEMBL9175083

C[C@H](N)C(=O)N1CC2(CC1C(=O)O)SCCS2

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.56
ACE P12821 6/20 0.51
ABCB11 O95342 1/20 0.47
MMP2 P08253 3/20 0.42

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
SCHEMBL9175072 1.00 HDAC8 (0.56) HDAC8ACEABCB11MMP2
Bromide SCHEMBL7342024 0.99 HDAC8 (0.55) HDAC8ACEABCB11MMP2
Bromide SCHEMBL7342017 0.99 HDAC8 (0.55) HDAC8ACEABCB11MMP2
SCHEMBL11279169 0.84 ACE (0.53) HDAC8ACEABCB11MMP2
SCHEMBL11260996 0.82 ACE (0.53) HDAC8ACEABCB11MMP2
SCHEMBL11212483 0.82 ACE (0.53) ACEABCB11
SCHEMBL11216048 0.81 ACE (0.53) HDAC8ACEABCB11MMP2
SCHEMBL11216045 0.81 ACE (0.53) HDAC8ACEABCB11MMP2
SCHEMBL14776984 0.79 MMP2 (0.49) HDAC8ACEABCB11MMP2
SCHEMBL11266964 0.79 REN (0.56) HDAC8ACEABCB11

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
EP-0050800-B2 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORP (US) 1995-06-07 EP disclosed
EP-0050800-B1 CARBOXYALKYL DIPEPTIDES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1986-06-18 EP disclosed