SCHEMBL7098367

SCHEMBL7098367

C=C(CCCCNC(=O)Nc1ccc(C)c(O)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.50
ALDH1A1 P00352 6/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP2D6 P10635 2/20 0.49
SLC6A3 Q01959 1/20 0.47
EPHX1 P07099 5/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 2/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.42

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
SCHEMBL7098035 0.99 EPHX2 (0.52) EPHX2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7096720 0.96 ALDH1A1 (0.50) EPHX2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7099121 0.91 ALDH1A1 (0.51) EPHX2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7097155 0.82 LMNA (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19EPHX1
SCHEMBL7096381 0.81 EPHX1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19EPHX1
SCHEMBL7094691 0.80 MARS1 (0.54) EPHX2ALDH1A1EPHX1MAPTLMNA
SCHEMBL8550840 0.79 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A3
SCHEMBL7094079 0.79 MARS1 (0.53) EPHX2ALDH1A1EPHX1LMNARAB9A
SCHEMBL7098030 0.79 EPHX2 (0.48) EPHX2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7098036 0.79 EPHX2 (0.48) EPHX2ALDH1A1CYP1A2CYP2C9CYP2C19

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