SCHEMBL2319261

SCHEMBL2319261

C=C(CCNC(=O)Oc1ccc(SC)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
TAAR1 Q96RJ0 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MGLL Q99685 6/20 0.40
HAO1 Q9UJM8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2318240 0.85 GAA (0.42) GAASMN1; SMN2ALDH1A1
SCHEMBL2316314 0.83 TAAR1 (0.49) NPC1TAAR1RAB9AGAA
SCHEMBL2315627 0.82 TAAR1 (0.43) NPC1TAAR1RAB9AGAASMN1; SMN2
SCHEMBL2314524 0.82 MGLL (0.56) NPC1TAAR1RAB9AGAASMN1; SMN2
SCHEMBL2314945 0.81 FAAH (0.51) NPC1TAAR1RAB9AGAA
SCHEMBL2314702 0.78 GAA (0.43) GAASMN1; SMN2
SCHEMBL2316714 0.76 HPGD (0.38) NPC1TAAR1RAB9AGAASMN1; SMN2
SCHEMBL2314389 0.76 KDM4E (0.46) NPC1TAAR1RAB9AGAASMN1; SMN2
SCHEMBL2318794 0.74 TAAR1 (0.47) NPC1TAAR1RAB9AGAA
SCHEMBL17350743 0.74 SMN1; SMN2 (0.40) NPC1TAAR1RAB9AGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2354845-B1 Photopolymer Composition for the Manufacturing of Holographic Media COVESTRO DEUTSCHLAND AG (DE) 2015-12-23 EP claimed
EP-2354845-B1 Photopolymer Composition for the Manufacturing of Holographic Media COVESTRO DEUTSCHLAND AG (DE) 2015-12-23 EP disclosed
EP-2354845-A1 (Meth)acrylate writing monomers Bayer MaterialScience AG (DE) 2011-08-10 EP disclosed