SCHEMBL7700731

SCHEMBL7700731

OCCc1ccc(-c2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.50
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
CA2 P00918 2/20 0.46
MAOB P27338 3/20 0.46
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
PDE4B Q07343 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX5 P09917 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
BACE1 P56817 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
PRKAB2 O43741 2/20 0.40
PRKAG1 P54619 2/20 0.40

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
SCHEMBL14884583 0.88 CHKA (0.47) CHKARXRARXRBCA2MAOB
SCHEMBL11000396 0.85 MAOB (0.59) CA2MAOBTDP1MAPKAPK2ALDH1A1
SCHEMBL412239 0.83 CHKA (0.53) CHKARXRARXRBMAOBS1PR1
SCHEMBL2044945 0.82 CA2 (0.65) CA2MAOBTDP1KDM4EALDH1A1
SCHEMBL14884590 0.79 CHKA (0.50) CHKARXRARXRBMAOBS1PR1
SCHEMBL8547681 0.79 CNR2 (0.54) CHKARXRARXRBMAOBS1PR1
SCHEMBL7452563 0.77 RPA1 (0.46) CA2MAOBMAPKAPK2GAAMAPT
SCHEMBL30597924 0.77 FFAR1 (0.65) RXRARXRBS1PR1S1PR5FFAR4
SCHEMBL77492 0.77 CA2 (0.59) CA2MAOBTDP1KDM4EALDH1A1
SCHEMBL2249765 0.77 TSHR (0.44) CA2TDP1KDM4EALDH1A1ALOX5

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-1216996-A2 Method to synthesise biphenylyl derivatives SANOFI-SYNTHELABO (FR) 2002-06-26 EP disclosed
EP-0837848-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1998-04-29 EP disclosed
WO-1997001536-A1 4-ARYL-1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES HAVING NEUROTROPHIC AND NEUROPROTECTIVE ACTIVITY SANOFI (FR) 1997-01-16 WO disclosed