SCHEMBL28079328

SCHEMBL28079328

CCC=CCCC=C(C)C#N

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP19A1 P11511 2/20 0.32
RXRA P19793 2/20 0.32
PPARG P37231 2/20 0.32
OXER1 Q8TDS5 2/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 2/20 0.31
F7 P08709 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
F3 P13726 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARD Q03181 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
SCHEMBL6699206 0.83 TDP1 (0.35) KMT2A
SCHEMBL28299910 0.80 TSHR (0.37) KMT2A
SCHEMBL17811841 0.77
SCHEMBL10789764 0.77
SCHEMBL10789771 0.77
SCHEMBL4923482 0.76
SCHEMBL576342 0.76
SCHEMBL576341 0.76
SCHEMBL8466690 0.74 KMT2A (0.46) PPARAALDH1A1CYP19A1RXRAPPARG
SCHEMBL1276408 0.74 KMT2A (0.46) PPARAALDH1A1CYP19A1RXRAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105283531-B Detergent composition 狮王株式会社 2018-11-02 CN disclosed
CN-104114534-B The method of manufacture methyl lemonile 帝斯曼知识产权资产管理有限公司 2017-03-08 CN disclosed
CN-104114533-B Novel method for producing methyl citraconitrile 帝斯曼知识产权资产管理有限公司 2016-08-24 CN disclosed