SCHEMBL7532284

SCHEMBL7532284

CCCCCC(Br)CCCCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
OPRM1 P35372 1/20 0.48
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.43
DNM1 Q05193 2/20 0.43
ZDHHC7 Q9NXF8 1/20 0.43
FDPS P14324 4/20 0.40
GPR84 Q9NQS5 3/20 0.39
SPHK1 Q9NYA1 1/20 0.39
FFAR1 O14842 1/20 0.39
CA1 P00915 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
SCHEMBL15687768 0.97 LCK (0.52) LCKPPARDZDHHC20ZDHHC2OPRM1
SCHEMBL9318142 0.97 LCK (0.52) LCKPPARDZDHHC20ZDHHC2OPRM1
SCHEMBL8878248 0.97 LCK (0.52) LCKPPARDZDHHC20ZDHHC2OPRM1
SCHEMBL340114 0.97 LCK (0.52) LCKPPARDZDHHC20ZDHHC2OPRM1
SCHEMBL9544301 0.97 LCK (0.52) LCKPPARDZDHHC20ZDHHC2OPRM1
SCHEMBL7092874 0.97 LCK (0.52) LCKPPARDZDHHC20ZDHHC2OPRM1
SCHEMBL5902659 0.97 LCK (0.52) LCKPPARDZDHHC20ZDHHC2OPRM1
SCHEMBL12214087 0.97 LCK (0.52) LCKPPARDZDHHC20ZDHHC2OPRM1
SCHEMBL3095599 0.97 LCK (0.52) LCKPPARDZDHHC20ZDHHC2OPRM1
SCHEMBL12964460 0.97 LCK (0.52) LCKPPARDZDHHC20ZDHHC2OPRM1

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-0791589-B1 4,6-DI-t-BUTYL-2,3-DIHYDROBENZOTHIOPHENES WHICH INHIBIT LDL OXIDATION CHUGAI PHARMACEUTICAL CO LTD (JP) 2002-03-06 EP disclosed
US-5789436-A ARTERIOSCLEROSIS; INHIBITORS OF OXIDATION OF LOW DENSITY LIPOPROTEINS; CHUGAI SEIYAK KABUSHIKI KAISHA (JP) 1998-08-04 US disclosed
EP-0791589-A1 4,6-DI-t-BUTYL-2,3-DIHYDROBENZOTHIOPHENES WHICH INHIBIT LDL OXIDATION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-27 EP disclosed
WO-1993016996-A1 INDOLE DERIVATIVES AS TESTOSTERONE-5-ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-02 WO disclosed