SCHEMBL3392593

SCHEMBL3392593

[CH2][CH]CNCCCCC(N)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
LTA4H P09960 1/20 0.36
NOS1 P29475 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
DPP7 Q9UHL4 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
ATM Q13315 1/20 0.31
CTSK P43235 1/20 0.30
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 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
SCHEMBL3393527 0.85 DPP7 (0.35) LTA4HDPP7GNAI3GNAO1GNAI1
SCHEMBL3389430 0.83 NOD1 (0.38) DPP7GNAI3GNAO1GNAI1CA12
SCHEMBL3039676 0.81 MAOA (0.37) MAOAMAOBLTA4HNOS1MEN1
SCHEMBL5928873 0.81 MAOA (0.43) MAOAMAOBLTA4HNOS1MEN1
SCHEMBL20496961 0.78 NOS1 (0.40) MAOAMAOBLTA4HNOS1MEN1
SCHEMBL4564159 0.78 ZDHHC20 (0.46) MAOAMAOBMEN1GAAKMT2A
SCHEMBL31634885 0.78 MAOA (0.59) MAOAMAOBMEN1GAAKMT2A
SCHEMBL13364040 0.77 MAOA (0.36) MAOAMAOBLTA4HNOS1MEN1
SCHEMBL3728829 0.77 KMT2A (0.58) MAOAMAOBMEN1GAAKMT2A
SCHEMBL1429864 0.77 KMT2A (0.58) MAOAMAOBMEN1GAAKMT2A

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
EP-2184271-A1 Use of at least one lysine derivative for the conditioning of keratinic fibres, cosmetic composition containing it and process for the conditioning the fibres L'Oréal (FR) 2010-05-12 EP claimed
EP-2184271-A1 Use of at least one lysine derivative for the conditioning of keratinic fibres, cosmetic composition containing it and process for the conditioning the fibres L'Oréal (FR) 2010-05-12 EP disclosed