SCHEMBL8846594

SCHEMBL8846594

C=CC(C)(Cl)CCC=C(C)C

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.61
HIF1A Q16665 4/20 0.42
EPAS1 Q99814 4/20 0.42
TSHR P16473 1/20 0.39
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.32
CYP3A4 P08684 3/20 0.32
MAPK1 P28482 1/20 0.32
CHRNA7 P36544 1/20 0.32
STAT3 P40763 1/20 0.32
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
UGT1A1 P22309 1/20 0.30

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
SCHEMBL18327892 1.00 ALOX15 (0.61) ALOX15HIF1AEPAS1TSHRKMT2A
SCHEMBL20845377 0.83 ALOX15 (0.42) ALOX15HIF1AEPAS1
SCHEMBL28466167 0.78 ALOX15 (0.61) ALOX15HIF1AEPAS1TSHRKMT2A
SCHEMBL10603830 0.77 ALOX15 (0.65) ALOX15HIF1AEPAS1TSHRKMT2A
SCHEMBL8144735 0.77 ALOX15 (0.65) ALOX15HIF1AEPAS1TSHRKMT2A
SCHEMBL11802270 0.77 ALOX15 (0.52) ALOX15HIF1AEPAS1TSHRKMT2A
SCHEMBL11805251 0.77 ALOX15 (0.52) ALOX15HIF1AEPAS1TSHRKMT2A
SCHEMBL29013730 0.77
Linalool SCHEMBL988357 0.76 ALOX15 (1.00) ALOX15HIF1AEPAS1TSHRKMT2A
Linalool SCHEMBL254425 0.76 ALOX15 (1.00) ALOX15HIF1AEPAS1TSHRKMT2A

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282915-B1 PROCESS FOR PREPARING SULFONE COMPOUNDS KURARAY CO., LTD. (JP) 1991-04-17 EP claimed
EP-0132545-B1 ISOMERIZATION OF ALLYLIC HALIDES WITH ORGANIC AMINES Union Camp Corporation (US) 1991-02-27 EP claimed
US-4886916-A REACTING (GERANYL, NERYL, OR LINALYL) CHLORIDE WITH ALKALI METAL PHENYL SULFINATE KURARAY COMPANY, LTD. (JP) 1989-12-12 US claimed
EP-0282915-A1 Process for preparing sulfone compounds KURARAY CO., LTD. (JP) 1988-09-21 EP claimed
US-4754087-A REACTING HYDROGEN HALIDE WITH TERMINAL CONJUGATED DIENE USING CUPROUS HALIDE-SALT CATALYST RHONE-POULENC SANTE (FR) 1988-06-28 US claimed
EP-0132543-B1 ISOMERIZATION OF ALLYLIC HALIDES WITH QUATERNARY SALTS Union Camp Corporation (US) 1986-10-08 EP claimed
EP-0144498-A2 Isomerization of allylic halides with alcohols Union Camp Corporation (US) 1985-06-19 EP claimed
EP-0132545-A2 Isomerization of allylic halides with organic amines Union Camp Corporation (US) 1985-02-13 EP claimed
EP-0132543-A1 Isomerization of allylic halides with quaternary salts Union Camp Corporation (US) 1985-02-13 EP claimed
US-4152530-A REACTION WITH ALKALI METAL HYDROXYLATE TO FORM ESTER FOLLOWED BY ALKALINE HYDROLYSIS OF ESTER RHONE-POULENC INC. (US) 1979-05-01 US claimed
US-3932539-A Process for preparing unsaturated terpene alcohols SCM CORPORATION (US) 1976-01-13 US claimed
JP-63250363-A None JP disclosed
JP-63250364-A None JP disclosed
JP-63250328-A None JP disclosed
CN-107602401-A A kind of method for preparing spices geraniol 江西凡生实业有限公司 2018-01-19 CN disclosed
EP-0012224-A1 Process for the synthesis of fragrant mixtures L. Givaudan & Cie Société Anonyme (CH) 1980-06-25 EP disclosed
US-4107418-A OF AN ACRYLIC MONOMER AND ANOTHER UNSATURATED MONOMER; CATALYST COMPRISING AN ORGANOALUMINUM HALIDE AND ORGANIC PEROXIDE MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1978-08-15 US disclosed
US-4006196-A FROM GERANIOL AND CHLORODIMETHYL FORMIMINIUM CHLORIDE STAUFFER CHEMICAL COMPANY (US) 1977-02-01 US disclosed
US-3989646-A METHYL HEXYL ETHER, OPTICALLY INACTIVE LINALOOL AND LINALYL ACETATE SCM CORPORATION (US) 1976-11-02 US disclosed
US-3932539-A Process for preparing unsaturated terpene alcohols SCM CORPORATION (US) 1976-01-13 US disclosed