SCHEMBL8549835

SCHEMBL8549835

CC(=CCCNC(=O)Nc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.54
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.50
FPR2 P25090 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KMT2A Q03164 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 1/20 0.47
EPHX2 P34913 1/20 0.47
CDK9 P50750 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MEN1 O00255 3/20 0.47

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
SCHEMBL8549827 1.00 EPHX1 (0.54) EPHX1ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL9007588 0.93 EPHX1 (0.55) EPHX1ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL9007572 0.93 EPHX1 (0.55) EPHX1ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL8550837 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL8550844 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL4942266 0.88 MAOA (0.46) EPHX1ALDH1A1HTTKMT2ANPC1
SCHEMBL5670853 0.88 MAOA (0.46) EPHX1ALDH1A1HTTKMT2ANPC1
SCHEMBL31122213 0.87 CNR1 (0.44) EPHX1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL8550251 0.87 NAMPT (0.47) EPHX1ALDH1A1HTTSMN1; SMN2HDAC1
SCHEMBL8550248 0.87 NAMPT (0.47) EPHX1ALDH1A1HTTSMN1; SMN2HDAC1

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
US-5731127-A WEAR RESISTANCE, SOLVENT RESISTANCE DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-03-24 US disclosed