SCHEMBL2314945

SCHEMBL2314945

C=C(CCNC(=O)Oc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.51
TAAR1 Q96RJ0 2/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
DRD3 P35462 6/20 0.47
DRD2 P14416 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL2316622 0.92 FAAH (0.51) FAAHDRD3DRD2
SCHEMBL2316314 0.91 TAAR1 (0.49) FAAHTAAR1NPC1GAARAB9A
SCHEMBL2315680 0.88 EPHX1 (0.55)
SCHEMBL2314524 0.84 MGLL (0.56) TAAR1NPC1GAARAB9A
SCHEMBL2315627 0.84 TAAR1 (0.43) FAAHTAAR1NPC1GAARAB9A
SCHEMBL2318794 0.82 TAAR1 (0.47) TAAR1NPC1GAARAB9A
SCHEMBL2322172 0.81 KDM4E (0.46) GAAMEN1KMT2A
SCHEMBL2319261 0.81 NPC1 (0.43) TAAR1NPC1GAARAB9A
SCHEMBL1834986 0.80 FAAH (0.58) FAAHDRD3
SCHEMBL2314647 0.80 FAAH (0.54) FAAH

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