SCHEMBL8593152

SCHEMBL8593152

CCOC(=O)CCc1cc(CCN)cc(Cc2ccc(F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
TAAR1 Q96RJ0 1/20 0.42
CYP4Z1 Q86W10 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX12 P18054 1/20 0.40
CCR6 P51684 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
CYP1A2 P05177 2/20 0.40
HSD17B10 Q99714 2/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39

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
SCHEMBL8593326 0.93 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1MAPTKDM4E
SCHEMBL8592403 0.90 CYP4F2 (0.50) CYP4F2CYP4A11CYP4Z1MAPTKDM4E
SCHEMBL8592085 0.88 CYP4F2 (0.51) CYP4F2CYP4A11CYP4Z1MAPTKDM4E
SCHEMBL8308006 0.85 CYP4F2 (0.47) CYP4F2CYP4A11CYP4Z1MAPTHPGD
SCHEMBL8819359 0.82 CYP4F2 (0.72) CYP4F2CYP4A11TAAR1CYP4Z1MAPT
SCHEMBL1936446 0.82 CYP4F2 (0.72) CYP4F2CYP4A11CYP4Z1MAPTKDM4E
SCHEMBL27329543 0.81 MAPT (0.40) TAAR1MAPTKDM4EHPGDMEN1
Hydrochloric Acid SCHEMBL30807158 0.80 CYP4F2 (0.70) CYP4F2CYP4A11CYP4Z1MAPTKDM4E
Hydrochloric Acid SCHEMBL11113065 0.80 CYP4F2 (0.70) CYP4F2CYP4A11TAAR1CYP4Z1KMT2A
SCHEMBL8592476 0.79 HPGD (0.42) CYP4F2CYP4A11CYP4Z1MAPTHPGD

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-0662950-B1 BENZENEALKANOIC ACIDS FOR CARDIOVASCULAR DISEASES PFIZER LTD (GB) 1998-01-14 EP disclosed
US-5618941-A Benzenealkanoic acids for cardiovascular diseases PFIZER INC. (US) 1997-04-08 US disclosed
EP-0662950-A1 BENZENEALKANOIC ACIDS FOR CARDIOVASCULAR DISEASES Pfizer Limited (GB) 1995-07-19 EP disclosed
WO-1994006761-A1 BENZENEALKANOIC ACIDS FOR CARDIOVASCULAR DISEASES PFIZER LIMITED (GB) 1994-03-31 WO disclosed