SCHEMBL2318009

SCHEMBL2318009

C=C(CCNC(=O)N(C)c1ccccc1F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
ACKR3 P25106 1/20 0.35
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
EGFR P00533 2/20 0.33
PTPN1 P18031 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
PTGIR P43119 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2314792 0.82 DRD2 (0.44) KDM4EALDH1A1POLBNPC1RAB9A
SCHEMBL17350678 0.77 CYP2C9 (0.38) KDM4EALDH1A1DDB1CRBNACKR3
SCHEMBL2316390 0.76 HTT (0.36) ALDH1A1DDB1CRBNPOLBRAB9A
SCHEMBL4133486 0.76 NAAA (0.49) ALDH1A1NPC1RAB9AEGFR
SCHEMBL16835726 0.74 DRD2 (0.47) KDM4EALDH1A1POLBNPC1RAB9A
SCHEMBL17350510 0.73 THRB (0.41) ALDH1A1DDB1CRBNPOLBRAB9A
SCHEMBL2314607 0.73 MEN1 (0.36) KDM4EALDH1A1RAB9AMEN1MAPT
SCHEMBL2316623 0.73 CNR1 (0.38) ALDH1A1POLBNPC1RAB9AEGFR
SCHEMBL2314191 0.72 MTNR1A (0.46) KDM4EALDH1A1NPC1RAB9AEGFR
SCHEMBL17350544 0.72 EGFR (0.43) KDM4EALDH1A1NPSR1NPC1EGFR

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