SCHEMBL8399450

SCHEMBL8399450

O=C(O)c1coc2ccc(Cl)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
NFKB1 P19838 1/20 0.55
HTT P42858 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
ALDH1A1 P00352 4/20 0.49
MCL1 Q07820 1/20 0.49
PTPN1 P18031 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
GPR35 Q9HC97 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAOB P27338 3/20 0.49
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL31723115 0.88 MAOB (0.61) NPC1RAB9ALMNAMAPTNFKB1
SCHEMBL11262567 0.87 ALDH1A1 (0.48) NPC1RAB9ALMNAMAPTNFKB1
SCHEMBL29156442 0.84 NPC1 (0.54) NPC1RAB9ALMNAMAPTNFKB1
SCHEMBL10900438 0.80 ALDH1A1 (0.54) NPC1RAB9ALMNAMAPTNFKB1
SCHEMBL29630236 0.80 SIRT1 (0.66) NPC1RAB9ALMNAMAPTNFKB1
SCHEMBL3377499 0.80 SIRT1 (0.66) NPC1RAB9ALMNAMAPTNFKB1
SCHEMBL18936167 0.79 MAOB (0.49) NPC1RAB9ALMNAMAPTNFKB1
SCHEMBL6614160 0.79 KDM4E (0.52) NPC1RAB9ALMNAMAPTNFKB1
SCHEMBL29933483 0.79 KDM4E (0.52) NPC1RAB9ALMNAMAPTNFKB1
SCHEMBL10898831 0.79 MAOB (0.56) NPC1RAB9AMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929107-A INHIBITORS OF ACYL-COA:CHOLESTEROL ACYLTRANSFERASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 US disclosed
US-5492929-A ENZYME INHIBITORS, ANTICHOLESTEROL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-20 US disclosed
EP-0602598-A1 3-Phenylindolyl-, -benzofuranyl- and -benzothienyl- alkylcarboxanilides, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-06-22 EP disclosed
EP-0117675-B1 BENZOFURAN AND BENZOTHIOPHENE-CARBOXYLIC-ACID DERIVATIVES BEECHAM GROUP PLC (GB) 1986-07-23 EP disclosed
US-4548948-A Anti-inflammatory and analgesic benzothiophene and benzafuran derivatives, compositions, and method of use therefor BEECHAM GROUP P.L.C. (GB) 1985-10-22 US disclosed
EP-0117675-A1 Benzofuran and benzothiophene-carboxylic-acid derivatives BEECHAM GROUP PLC (GB) 1984-09-05 EP disclosed