SCHEMBL2314792

SCHEMBL2314792

C=C(CCNC(=O)N(C)c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
PKM P14618 1/20 0.42
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FAAH O00519 1/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
EGFR P00533 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPIB P23284 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
SCHEMBL16835726 0.91 DRD2 (0.47) DRD2ADRA1ADRD3PKMMTNR1A
SCHEMBL2314607 0.87 MEN1 (0.36) DRD2ADRA1ADRD3LMNAALDH1A1
SCHEMBL2316623 0.87 CNR1 (0.38) DRD2ADRA1ADRD3LMNAALDH1A1
SCHEMBL2314191 0.85 MTNR1A (0.46) DRD2ADRA1ADRD3MTNR1AMTNR1B
SCHEMBL17350544 0.85 EGFR (0.43) DRD2ADRA1ADRD3ALDH1A1KDM4E
SCHEMBL9521252 0.84 ITGB3 (0.46) DRD2ADRA1ADRD3PKMMTNR1A
SCHEMBL2314535 0.83 KMT2A (0.39) ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL2318009 0.82 KDM4E (0.35) ALDH1A1KDM4ENPC1RAB9AEGFR
SCHEMBL20266341 0.79 PKM (0.47) DRD2ADRA1ADRD3PKMMTNR1A
SCHEMBL10824954 0.78 PKM (0.46) DRD2ADRA1ADRD3PKMMTNR1A

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