SCHEMBL7098036

SCHEMBL7098036

CC(=CCCCCNC(=O)Nc1ccc(C)c(O)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2D6 P10635 2/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
GAA P10253 1/20 0.42
EPHX1 P07099 7/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 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
SCHEMBL7098030 1.00 EPHX2 (0.48) EPHX2SLC6A3ALDH1A1MAPTCYP1A2
SCHEMBL7096718 0.92 ALDH1A1 (0.46) EPHX2SLC6A3ALDH1A1MAPTCYP1A2
SCHEMBL7096722 0.92 ALDH1A1 (0.46) EPHX2SLC6A3ALDH1A1MAPTCYP1A2
SCHEMBL7096382 0.84 EPHX1 (0.48) SLC6A3ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL7096379 0.84 EPHX1 (0.48) SLC6A3ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL7094078 0.82 MARS1 (0.51) EPHX2ALDH1A1MAPTCYP1A2KMT2A
SCHEMBL7094080 0.82 MARS1 (0.51) EPHX2ALDH1A1MAPTCYP1A2KMT2A
SCHEMBL7097411 0.79 GAA (0.47) MAPTKMT2AMEN1GAAHTT
SCHEMBL7097409 0.79 GAA (0.47) MAPTKMT2AMEN1GAAHTT
SCHEMBL7098367 0.79 EPHX2 (0.50) EPHX2SLC6A3ALDH1A1MAPTCYP1A2

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-0737896-B1 Photosensitive composition and photosensitive planographic printing plate KODAK POLYCHROME GRAPHICS JP (JP) 2003-08-27 EP disclosed
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