SCHEMBL3293232

SCHEMBL3293232

C=C(CC)C(=O)NCCCN

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
DPP7 Q9UHL4 2/20 0.36
RRM1 P23921 1/20 0.35
SLC6A5 Q9Y345 2/20 0.35
EPHX1 P07099 2/20 0.33
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
PLA2G2A P14555 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
SCHEMBL9751668 0.92 PAOX (0.55) PAOXMEN1KMT2AGNAI3GNAO1
SCHEMBL3298402 0.88 PAOX (0.33) PAOXMEN1KMT2AGNAI3GNAO1
SCHEMBL11524825 0.83 EPHX1 (0.48) MEN1KMT2AEPHX1PLA2G2A
SCHEMBL29573839 0.83 MEN1 (0.39) MEN1KMT2AEPHX1PLA2G2A
SCHEMBL26598585 0.80 EPHX1 (0.57) MEN1KMT2ADPP7EPHX1PLA2G2A
SCHEMBL545376 0.80 EPHX1 (0.57) MEN1KMT2ADPP7EPHX1PLA2G2A
SCHEMBL28954974 0.79 PAOX (0.52) PAOXGNAI3GNAO1GNAI1DPP7
SCHEMBL49567 0.79 PAOX (0.52) PAOXGNAI3GNAO1GNAI1DPP7
SCHEMBL2560023 0.79 MMP1 (0.41) PAOXMEN1KMT2AEPHX1PLA2G2A
SCHEMBL6892383 0.78 PAOX (0.52) PAOXMEN1KMT2AGNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0139588-A2 Ampholytic cationic tetrapolymers, their use in the treatment of keratin fibres and compositions containing them SOCIETE FRANCAISE HOECHST Société anonyme dite: (FR) 1985-05-02 EP claimed
US-7726802-B2 Ink set for inkjet recording, and image recording method and image recording apparatus FUJIFILM CORPORATION (JP) 2010-06-01 US disclosed
US-20070229577-A1 Ink set for inkjet recording, and image recording method and image recording apparatus FUJIFILM CORPORATION (JP) 2007-10-04 US disclosed
US-20070222832-A1 Ink tank assembly for inkjet system, and image forming apparatus FUJIFILM CORPORATION 2007-09-27 US disclosed