SCHEMBL7351377

SCHEMBL7351377

CC(=O)c1c(Cl)c(Cl)cc2c1OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 3/20 0.37
ALOX15 P16050 1/20 0.37
PLK1 P53350 1/20 0.36
LARS1 Q9P2J5 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL16984692 0.78 KDM4E (0.42) KDM4EALDH1A1HSD17B10ALOX15MEN1
SCHEMBL8569396 0.75 CTNNB1 (0.34) ALDH1A1LARS1MEN1KMT2AHDAC3
SCHEMBL6706298 0.74 AHR (0.48) LARS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL27432422 0.72 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10PLK1MEN1
SCHEMBL1748557 0.71 KMT2A (0.46) KDM4EALDH1A1HSD17B10ALOX15PLK1
SCHEMBL25082646 0.71 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10ALOX15PLK1
SCHEMBL30884747 0.71 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10ALOX15PLK1
SCHEMBL30884746 0.69 CA12 (0.38) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL30200421 0.69 NPSR1 (0.41) KDM4EALDH1A1HSD17B10ALOX15PLK1
SCHEMBL25082791 0.69 CA12 (0.38) KDM4EALDH1A1MEN1KMT2ANPSR1

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 4 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
EP-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed
WO-1994027965-A1 NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1994-12-08 WO disclosed