SCHEMBL8549833

SCHEMBL8549833

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 3/20 0.59
HTT P42858 1/20 0.59
LMNA P02545 1/20 0.58
HDAC1 Q13547 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA4 P22748 2/20 0.50

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
SCHEMBL9007574 0.92 EPHX1 (0.62) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL2314772 0.90 EPHX1 (0.55) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL4942260 0.88 MAOA (0.47) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL8550840 0.87 ALDH1A1 (0.60) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL8550250 0.87 EPHX2 (0.50) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL7098401 0.86 MARS1 (0.55) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL7097155 0.84 LMNA (0.51) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL7828340 0.83 EPHX1 (0.68) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL8549863 0.83 GHSR (0.49) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL8549984 0.83 EPHX1 (0.43) EPHX1KDM4EALDH1A1HTTLMNA

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