SCHEMBL8545918

SCHEMBL8545918

C=C(CCNC(=O)Nc1cccc2ccccc12)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.64
KDM4E B2RXH2 8/20 0.62
GSK3B P49841 1/20 0.62
MAPT P10636 2/20 0.55
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 1/20 0.53
NPY5R Q15761 1/20 0.52
TRPV1 Q8NER1 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 2/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL8547552 0.92 EPHX1 (0.61) EPHX1KDM4EGSK3BMAPTHSD17B10
SCHEMBL7097526 0.85 TRPV1 (0.47) EPHX1KDM4EGSK3BMAPTHSD17B10
SCHEMBL7097365 0.82 ITGB3 (0.51) EPHX1MAPTALDH1A1MEN1KMT2A
SCHEMBL8546341 0.81 ITGB3 (0.74) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL8550052 0.80 GOT1 (0.52) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL4902252 0.79 EPHX1 (0.73) EPHX1KDM4EGSK3BMAPTHSD17B10
SCHEMBL12196197 0.79 EPHX1 (1.00) EPHX1KDM4EGSK3BMAPTHSD17B10
SCHEMBL20472314 0.78 NPY5R (0.65) EPHX1KDM4EGSK3BMAPTHSD17B10
SCHEMBL31254114 0.78 NPY5R (0.65) EPHX1KDM4EGSK3BMAPTHSD17B10
SCHEMBL2314772 0.78 EPHX1 (0.55) EPHX1KDM4EALDH1A1MEN1KMT2A

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