SCHEMBL27256409

SCHEMBL27256409

CC=CCCCC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.37
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
APEX1 P27695 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL11699694 0.92 ACLY (0.40) ACLY
SCHEMBL11699700 0.92 ACLY (0.40) ACLY
SCHEMBL4602448 0.82
SCHEMBL2282242 0.82
SCHEMBL29257651 0.79 ALDH1A1 (0.43) ACLYGMNNUSP2CYP1A2POLB
SCHEMBL16327143 0.79 ACLY (0.34) ACLYBLM
SCHEMBL55762 0.77
SCHEMBL13195659 0.76 ACLY (0.35) ACLY
SCHEMBL20403598 0.76 OXER1 (0.37) ACLYBLM
SCHEMBL6060081 0.76 ACLY (0.35) ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104854073-B (6R, 10R) -6 prepared by 3,7- dimethyl-octa -2- olefine aldehydrs or bis- olefine aldehydr of 3,7- dimethyl-octa -2,6-, 10,14- trimethylpentadecane -2- ketone 帝斯曼知识产权资产管理有限公司 2018-06-12 CN disclosed
CN-101379975-A Composition pesticide SUMITOMO CHEMICAL CO (JP) 2009-03-11 CN disclosed
CN-101379976-A Composition pesticide SUMITOMO CHEMICAL CO (JP) 2009-03-11 CN disclosed
CN-1026579-C Process for prepn. of terpenes EISAI CO LTD (JP) 1994-11-16 CN disclosed
CN-1049650-A The terpenic preparation method EISAI CO LTD (JP) 1991-03-06 CN disclosed