SCHEMBL27820239

SCHEMBL27820239

C/C(=C\CCCO)c1ccc(CN)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 3/20 0.40
▸ F10 P00742 1/20 0.40
▸ NOS3 P29474 2/20 0.38
▸ NOS1 P29475 2/20 0.38
▸ NOS2 P35228 2/20 0.38
▸ HDAC3 O15379 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ ABAT P80404 1/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP4A11 Q02928 2/20 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
SCHEMBL2240179 0.80 ALDH1A1 (0.36) SMN1; SMN2TBXAS1
SCHEMBL2240168 0.80 ALDH1A1 (0.36) SMN1; SMN2TBXAS1
SCHEMBL2240176 0.80 ALDH1A1 (0.36) SMN1; SMN2TBXAS1
SCHEMBL28789528 0.79 LOXL2 (0.43) LOXL2F10NOS3NOS1NOS2
SCHEMBL14095463 0.78 LOXL2 (0.45) LOXL2F10NOS3NOS1NOS2
SCHEMBL10454424 0.78 TBXAS1 (0.45) TBXAS1
SCHEMBL9614155 0.78 TBXAS1 (0.45) TBXAS1
SCHEMBL27528866 0.78 LOXL2 (0.45) LOXL2F10NOS3NOS1NOS2
SCHEMBL27913568 0.75 LOXL2 (0.50) LOXL2F10NOS3NOS1NOS2
SCHEMBL29118769 0.71 TBXAS1 (0.53) TBXAS1

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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