SCHEMBL13449172

SCHEMBL13449172

CC(C)(C)OC(=O)NC(C(=O)N1CC[C@@H]2[C@H]1[C@H](c1c[nH]c3ccccc13)CN2C(=O)OCc1ccccc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.47
CCKAR P32238 2/20 0.41
CCKBR P32239 1/20 0.41
KLK7 P49862 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
SCHEMBL12299511 1.00 CTSL (0.47) CTSLCCKARCCKBRKLK7
SCHEMBL13449164 1.00 CTSL (0.47) CTSLCCKARCCKBRKLK7
SCHEMBL12299486 1.00 CTSL (0.47) CTSLCCKARCCKBRKLK7
SCHEMBL2446120 0.92 CTSL (0.44) CTSLCCKARCCKBR
SCHEMBL12299586 0.92 CTSL (0.44) CTSLCCKARCCKBR
SCHEMBL12299479 0.86 ELANE (0.42)
SCHEMBL2443056 0.86 ELANE (0.42)
SCHEMBL12299504 0.86 ELANE (0.42)
SCHEMBL12299514 0.85 GABRA1 (0.42)
SCHEMBL12299487 0.85 GABRA1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010033531-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-03-25 WO disclosed