SCHEMBL6600588

SCHEMBL6600588

CC(C)(CCc1cccc(N=C(N)c2cccs2)c1)N(C(=O)O)C1CCN(C(=O)CCCCC2CCSS2)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.51
QRFPR Q96P65 1/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38

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
SCHEMBL6599689 0.89 NOS1 (0.55) NOS1QRFPRNOS3NOS2
SCHEMBL6599685 0.89 NOS1 (0.55) NOS1QRFPRNOS3NOS2
SCHEMBL6600587 0.86 NOS1 (0.49) NOS1QRFPRNOS3NOS2
SCHEMBL5382789 0.85 NOS1 (0.50) NOS1QRFPRNOS3NOS2
SCHEMBL5382783 0.85 NOS1 (0.50) NOS1QRFPRNOS3NOS2
SCHEMBL5386545 0.82 NOS1 (0.60) NOS1QRFPRNOS3NOS2
SCHEMBL5386548 0.82 NOS1 (0.60) NOS1QRFPRNOS3NOS2
SCHEMBL5394561 0.82 NOS1 (0.60) NOS1QRFPRNOS3NOS2
SCHEMBL5394565 0.82 NOS1 (0.60) NOS1QRFPRNOS3NOS2
SCHEMBL6600583 0.82 NOS1 (0.52) NOS1QRFPRNOS2

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
EP-1265891-B1 NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES CONSEILS DE RECH SET D APPLIC (FR) 2004-12-29 EP claimed