SCHEMBL6446286

SCHEMBL6446286

O=CCc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.52
TTR P02766 6/20 0.51
SLC6A2 P23975 8/20 0.50
SLC6A3 Q01959 8/20 0.50
SLC6A4 P31645 8/20 0.50
MAPT P10636 2/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
PGR P06401 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
HSPA5 P11021 1/20 0.50
HPGD P15428 1/20 0.50
CBR1 P16152 1/20 0.50
TBXA2R P21731 1/20 0.50
AGTR1 P30556 1/20 0.50
KCNH2 Q12809 2/20 0.46
S1PR4 O95977 1/20 0.44
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43

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
SCHEMBL3681745 0.81 SLC6A2 (0.58) CHRM1TTRSLC6A2SLC6A3SLC6A4
SCHEMBL929750 0.79 MEN1 (0.45) MAPTLMNAHPGD
SCHEMBL5324430 0.79 FFAR1 (0.61) TTRSLC6A2SLC6A3MAPTNR1I2
SCHEMBL7186092 0.78 TTR (0.75) CHRM1TTRSLC6A2SLC6A3SLC6A4
SCHEMBL30902343 0.77 CYP1A2 (0.52) MAPTLMNAHPGDTDP1
SCHEMBL27341302 0.77 CYP1A2 (0.52) MAPTLMNAHPGDTDP1
SCHEMBL3507727 0.76 TDP1 (0.43) MAPTLMNAHSP90AA1HSPA5HPGD
SCHEMBL29439097 0.76 IDO1 (0.54) LMNATDP1
SCHEMBL895205 0.76 IDO1 (0.54) LMNATDP1
SCHEMBL5759267 0.75 FFAR4 (0.44) MAPTHPGD

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-1320516-B1 PROCESS FOR THE PREPARATION OF HALOGENATED HYDROXYDIPHENYL COMPOUNDS CIBA SC HOLDING AG (CH) 2005-10-05 EP disclosed
EP-0857711-B1 Process for the preparation of halogenated hydroxy diphenyl compounds CIBA SC HOLDING AG (CH) 2003-06-04 EP disclosed
US-6215029-B1 ACYLATION OF DICHLOROBENZENE; CATALYTIC ETHERIFICATION WITH CHLORINATED PHENOL IN BASE AND COPPER COMPOUND PRESENCE; OXIDATION, HYDROLYSIS CIBA SPECIALTY CHEMICALS CORPORATION 2001-04-10 US disclosed