SCHEMBL7360982

SCHEMBL7360982

CC(=O)Nc1cc(O)c(C(=O)CCCCCl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PYGL P06737 2/20 0.38
ALDH1A1 P00352 6/20 0.38
HTT P42858 2/20 0.38
AGER Q15109 1/20 0.37
KDM4E B2RXH2 4/20 0.37
POLB P06746 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL7360659 0.96 AGER (0.40) PGK1CA1CA2CA9PYGL
SCHEMBL7355259 0.83 AGER (0.53) ALDH1A1HTTAGERKDM4EPOLB
SCHEMBL7358509 0.79 AGER (0.57) ALDH1A1HTTAGERKDM4EPOLB
SCHEMBL3658766 0.78 CA1 (0.47) PGK1CA1CA2CA9PYGL
SCHEMBL7317043 0.76 PYGL (0.55) PGK1CA1CA2CA9PYGL
SCHEMBL7348962 0.75 ALDH1A1 (0.45) ALDH1A1AGERKDM4EPOLBKMT2A
SCHEMBL7352264 0.75 KDM4E (0.52) ALDH1A1AGERKDM4EPOLBKMT2A
SCHEMBL3659229 0.75 CA1 (0.49) PGK1CA1CA2CA9PYGL
SCHEMBL8971050 0.75 PGK1 (0.39) PGK1CA1CA2CA9PYGL
SCHEMBL11797206 0.74 CA1 (0.53) PGK1CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700383-B1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX INC (US) 1998-09-23 EP disclosed
US-5763458-A NERVOUS SYSTEM DISORDERS, ANXIETY, ANTIDEPRESSANTS AND COGNITION ACTIVATORS SYNTEX (U.S.A.) INC. (US) 1998-06-09 US disclosed
WO-1994027965-A1 NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1994-12-08 WO disclosed