SCHEMBL28789528

SCHEMBL28789528

C/C(=C\CCC=O)c1ccc(CN)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 4/20 0.43
▸ HDAC3 O15379 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ F10 P00742 1/20 0.40
▸ NOS3 P29474 2/20 0.38
▸ NOS1 P29475 2/20 0.38
▸ NOS2 P35228 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ABAT P80404 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.34
▸ PSIP1 O75475 1/20 0.34
▸ TPSAB1 Q15661 2/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL2244119 0.80 ALDH1A1 (0.41) HDAC6SMN1; SMN2KMT2A
SCHEMBL2244115 0.80 ALDH1A1 (0.41) HDAC6SMN1; SMN2KMT2A
SCHEMBL2244123 0.80 ALDH1A1 (0.41) HDAC6SMN1; SMN2KMT2A
SCHEMBL27820239 0.79 LOXL2 (0.40) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL10454475 0.78 TBXAS1 (0.42) —
SCHEMBL27528866 0.78 LOXL2 (0.45) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL10454486 0.78 TBXAS1 (0.42) —
SCHEMBL14095463 0.78 LOXL2 (0.45) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL28223110 0.77 LOXL2 (0.47) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL27913568 0.75 LOXL2 (0.50) LOXL2HDAC3HDAC6NCOR2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102197122-B Perfuming ingredients of the floral and/or anis type FIRMENICH & CIE 2013-03-27 — — CN disclosed
CN-102197122-A Perfuming ingredients of the floral and/or anis type FIRMENICH & CIE 2011-09-21 — — CN disclosed
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