SCHEMBL28190865

SCHEMBL28190865

C#CCC(=O)CCC(C)=C(C)C

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL3629592 0.82 CYP1A2 (0.36)
SCHEMBL3621491 0.80 ALDH1A1 (0.53) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL30132956 0.79 CYP1A2 (0.35)
SCHEMBL3620023 0.70 CYP1A2 (0.30)
SCHEMBL3950568 0.69
SCHEMBL9051136 0.69 ALDH1A1 (0.33)
Ethyne SCHEMBL28190867 0.69 ALDH1A1 (0.59)
SCHEMBL233191 0.68 ALDH1A1 (0.67) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL4203225 0.67
SCHEMBL10916486 0.67 KMT2A (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104704092-B Flavor and fragrance formulation (VI) 帝斯曼知识产权资产管理有限公司 2018-01-02 CN claimed