SCHEMBL6431354

SCHEMBL6431354

CC(C)(CCc1ccccc1)OC(C)(C)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAAR1 Q96RJ0 4/20 0.41
ATM Q13315 1/20 0.41
SLC6A2 P23975 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2A6 P11509 1/20 0.41
HTR2A P28223 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
IDO1 P14902 1/20 0.39
AOC3 Q16853 1/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL27560080 0.86 TP53 (0.33) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL19509051 0.84 ALDH1A1 (0.41) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL964291 0.83 ALDH1A1 (0.39) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL9446218 0.81 TAAR1 (0.42) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL9956262 0.79 KCNH2 (0.39) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL7005101 0.78 TAAR1 (0.45) TAAR1HTR2AIDO1CYP2D6
SCHEMBL315316 0.78 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL4980093 0.78 ALDH1A1 (0.37) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL29143219 0.78 ALDH1A1 (0.35) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL873380 0.77 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113244117-A Composition providing delayed release of active substances 诺赛尔股份有限公司 2021-08-13 CN disclosed
CN-107107019-B Coated microcapsules 诺赛尔股份有限公司 2021-06-18 CN disclosed
CN-107001979-B Coated microcapsules 诺赛尔股份有限公司 2021-05-28 CN disclosed
CN-107249545-B Composition providing delayed release of active substances 诺赛尔股份有限公司 2021-05-25 CN disclosed
CN-106999896-B Coated microcapsules 诺赛尔股份有限公司 2020-10-30 CN disclosed
EP-0946684-B1 USE OF DIESEL FUEL ADDITIVES SHELL INT RESEARCH (NL) 2005-05-25 EP disclosed
EP-0908173-B1 Use in perfumery of 1-methoxy-2-methyl-3-phenylpropane,1-(2-methoxypropyl)-4-methylbenzene and 3-methoxy-2,2,3,-trimethyl-1-phenylbutane FIRMENICH & CIE (CH) 2004-02-18 EP disclosed
EP-0908173-A2 Use in perfumery of 1-methoxy-2-methyl-3-phenylpropane,1-(2-methoxypropyl)-4-methylbenzene and 3-methoxy-2,2,3,-trimethyl-1-phenylbutane FIRMENICH SA (CH) 1999-04-14 EP disclosed
EP-0646103-B1 BF3-TERTIARY ETHERATE COMPLEXES FOR ISOBUTYLENE POLYMERIZATION AMOCO CORP (US) 1997-08-27 EP disclosed
EP-0646103-A4 BF 3?-TERTIARY ETHERATE COMPLEXES FOR ISOBUTYLENE POLYMERIZATION. AMOCO CORP (US) 1995-08-09 EP disclosed
EP-0664316-A1 Polycarbonate composition having improved resistance to gamma-ray radiation TEIJIN LIMITED (JP) 1995-07-26 EP disclosed
EP-0646103-A1 BF 3?-TERTIARY ETHERATE COMPLEXES FOR ISOBUTYLENE POLYMERIZATION. AMOCO CORP (US) 1995-04-05 EP disclosed
WO-1993010063-A1 BF3-TERTIARY ETHERATE COMPLEXES FOR ISOBUTYLENE POLYMERIZATION AMOCO CORPORATION (US) 1993-05-27 WO disclosed
US-5068490-A Alkyl tert-butyl ether boron trifluoride complex as a catalyst AMOCO CORPORATION (US) 1991-11-26 US disclosed