SCHEMBL8565479

SCHEMBL8565479

NC(=O)c1cccc(OCCN(CCCCC(=O)NC2CCCCCC2)Cc2ccccc2)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
EPHX2 P34913 2/20 0.46
BCHE P06276 3/20 0.43
ACHE P22303 3/20 0.43
SGMS2 Q8NHU3 1/20 0.43
ICMT O60725 1/20 0.42
ALB P02768 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HDAC3 O15379 7/20 0.41
HDAC1 Q13547 7/20 0.41
HDAC2 Q92769 7/20 0.41
HDAC8 Q9BY41 5/20 0.41
NCOR2 Q9Y618 4/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC4 P56524 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41

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
SCHEMBL7764577 0.86 BCHE (0.56) EPHX1EPHX2BCHEACHEICMT
SCHEMBL8022082 0.81 EPHX1 (0.48) EPHX1EPHX2BCHEACHEICMT
SCHEMBL7772425 0.81 MEN1 (0.51) EPHX1EPHX2BCHEACHEICMT
SCHEMBL7566432 0.78 EPHX1 (0.65) EPHX1EPHX2BCHEACHEICMT
SCHEMBL7769378 0.78 EPHX1 (0.65) EPHX1EPHX2BCHEACHEICMT
SCHEMBL7568901 0.77 EPHX1 (0.64) EPHX1EPHX2BCHEACHEICMT
SCHEMBL7764576 0.77 EPHX1 (0.64) EPHX1EPHX2BCHEACHEICMT
SCHEMBL7568943 0.75 EPHX2 (0.64) EPHX1EPHX2ICMTALBMEN1
SCHEMBL7764563 0.69 LMNA (0.58) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL13603937 0.68 ALDH1A1 (0.75) SGMS2MEN1KMT2AALDH1A1TSHR

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-5998666-A ANTIULCER, ANTISECRETORY AGENTS; ANTIEMITIC SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 1999-12-07 US disclosed