SCHEMBL9007572

SCHEMBL9007572

C/C(=C\CCNC(=O)Nc1ccccc1)C(=O)O.CCCNC(=O)NCC/C=C(\C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.55
ALDH1A1 P00352 3/20 0.55
HTT P42858 1/20 0.55
MAPT P10636 1/20 0.53
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.45
GHSR Q92847 1/20 0.44
FPR2 P25090 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TAAR1 Q96RJ0 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
SCHEMBL9007588 1.00 EPHX1 (0.55) EPHX1ALDH1A1HTTMAPTKMT2A
SCHEMBL8549835 0.93 EPHX1 (0.54) EPHX1ALDH1A1HTTMAPTKMT2A
SCHEMBL8549827 0.93 EPHX1 (0.54) EPHX1ALDH1A1HTTMAPTKMT2A
SCHEMBL9007584 0.89 EPHX1 (0.51) EPHX1ALDH1A1HTTMAPTKMT2A
SCHEMBL8549460 0.84 EPHX1 (0.46) EPHX1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8549463 0.84 EPHX1 (0.46) EPHX1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2451040 0.83 EPHX1 (0.75) EPHX1ALDH1A1HTTMAPTKMT2A
SCHEMBL8550837 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2CYP2C19
SCHEMBL4942266 0.82 MAOA (0.46) EPHX1ALDH1A1HTTMAPTKMT2A
SCHEMBL8550844 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737896-A2 Photosensitive composition and photosensitive planographic printing plate DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-10-16 EP disclosed