SCHEMBL8550248

SCHEMBL8550248

C/C(=C\CCNC(=O)Nc1ccc(C(=O)O)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.47
EPHX2 P34913 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
CNR1 P21554 1/20 0.44
BACE1 P56817 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX1 P07099 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL8550251 1.00 NAMPT (0.47) NAMPTEPHX2NR1H4CNR1BACE1
SCHEMBL4942266 0.87 MAOA (0.46) NR1H4CNR1NPC1MAPTRAB9A
SCHEMBL5670853 0.87 MAOA (0.46) NR1H4CNR1NPC1MAPTRAB9A
SCHEMBL8550837 0.87 ALDH1A1 (0.53) CNR1NPC1RAB9ASMN1; SMN2CA12
SCHEMBL8550844 0.87 ALDH1A1 (0.53) CNR1NPC1RAB9ASMN1; SMN2CA12
SCHEMBL8549827 0.87 EPHX1 (0.54) EPHX2HDAC1NPC1MAPTRAB9A
SCHEMBL8549835 0.87 EPHX1 (0.54) EPHX2HDAC1NPC1MAPTRAB9A
SCHEMBL31122213 0.86 CNR1 (0.44) CNR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL15914265 0.84 CNR1 (0.53) NAMPTCNR1MAPTRAB9ASMN1; SMN2
SCHEMBL15914263 0.84 CNR1 (0.53) NAMPTCNR1MAPTRAB9ASMN1; 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
US-5731127-A WEAR RESISTANCE, SOLVENT RESISTANCE DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-03-24 US disclosed
EP-0737896-A2 Photosensitive composition and photosensitive planographic printing plate DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-10-16 EP disclosed