SCHEMBL2314702

SCHEMBL2314702

C=C(CCCNC(=O)Oc1cccc(SC)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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 0.93 GAA (0.42) GAASMN1; SMN2
SCHEMBL2318794 0.82 TAAR1 (0.47) GAA
SCHEMBL2314583 0.82 KMT2A (0.51)
SCHEMBL2314647 0.82 FAAH (0.54)
SCHEMBL2315066 0.82 FAAH (0.43)
SCHEMBL2319261 0.78 NPC1 (0.43) GAASMN1; SMN2
SCHEMBL2314700 0.77 ALDH1A1 (0.40)
SCHEMBL17350710 0.77 ALDH1A1 (0.43) GAASMN1; SMN2
SCHEMBL2316622 0.75 FAAH (0.51)
SCHEMBL17350558 0.74 ALDH1A1 (0.43) GAASMN1; 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 2 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-A1 (Meth)acrylate writing monomers Bayer MaterialScience AG (DE) 2011-08-10 EP disclosed