SCHEMBL9739731

SCHEMBL9739731

CC(C)[C@@H]1COC(=O)N1C(=O)[C@H](CC(=O)O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.59
CPA1 P15085 2/20 0.46
CPB1 P15086 1/20 0.46
CPA3 P15088 1/20 0.46
CPB2 Q96IY4 1/20 0.46
LTA4H P09960 2/20 0.43
STAT3 P40763 1/20 0.43
NAAA Q02083 1/20 0.41
IDH1 O75874 1/20 0.41
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
PIK3CD O00329 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL9739729 1.00 IL6ST (0.59) IL6STCPA1CPB1CPA3CPB2
SCHEMBL7277218 0.87 IL6ST (0.53) IL6STSTAT3NAAAIDH1CYP1A2
SCHEMBL7277227 0.87 IL6ST (0.53) IL6STSTAT3NAAAIDH1CYP1A2
SCHEMBL7277223 0.87 IL6ST (0.53) IL6STSTAT3NAAAIDH1CYP1A2
SCHEMBL9216981 0.86 IL6ST (0.55) IL6STSTAT3NAAAIDH1
SCHEMBL9216987 0.86 IL6ST (0.55) IL6STSTAT3NAAAIDH1
SCHEMBL7268241 0.86 IL6ST (0.55) IL6STSTAT3NAAAIDH1
SCHEMBL7277673 0.86 IL6ST (0.52) IL6STSTAT3NAAAIDH1
SCHEMBL7268237 0.86 IL6ST (0.55) IL6STSTAT3NAAAIDH1
SCHEMBL17418481 0.85 IL6ST (0.64) IL6STSTAT3NAAAIDH1PIK3CD

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-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US disclosed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP disclosed