SCHEMBL19423756

SCHEMBL19423756

CC[C@H]1Nc2ccc(CNC(=O)CCC(=O)N3CCC[C@@H]3c3ccccc3SC)cc2OC[C@H]1O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 16/20 0.55
▸ PPIG Q13427 5/20 0.48
▸ PPIB P23284 3/20 0.48
▸ PPIA P62937 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
SCHEMBL19430051 0.91 PPID (0.56) PPIDPPIGPPIBPPIA
SCHEMBL19423570 0.90 PPID (0.68) PPIDPPIGPPIBPPIA
SCHEMBL19423571 0.90 PPID (0.68) PPIDPPIGPPIBPPIA
SCHEMBL19430158 0.84 PPID (0.50) PPIDPPIGPPIBPPIA
SCHEMBL19423757 0.82 PPID (0.59) PPIDPPIGPPIBPPIA
SCHEMBL19423761 0.81 PPID (0.65) PPIDPPIGPPIBPPIA
SCHEMBL19430048 0.81 PPID (0.82) PPIDPPIGPPIBPPIA
SCHEMBL19430091 0.81 PPID (0.82) PPIDPPIGPPIBPPIA
SCHEMBL19421449 0.81 PPID (0.82) PPIDPPIGPPIBPPIA
SCHEMBL19421489 0.81 PPID (0.82) PPIDPPIGPPIBPPIA

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-2017173048-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 — — WO disclosed
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