SCHEMBL9751668

SCHEMBL9751668

C=C(CC)C(=O)NCCCCCCN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.55
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
SLC6A5 Q9Y345 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
RRM1 P23921 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
EPHX1 P07099 5/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
PLA2G2A P14555 1/20 0.38
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL3293232 0.92 PAOX (0.44) PAOXGNAI3GNAO1GNAI1SLC6A5
SCHEMBL545376 0.85 EPHX1 (0.57) MEN1KMT2AEPHX1ZDHHC20ZDHHC2
SCHEMBL26598585 0.85 EPHX1 (0.57) MEN1KMT2AEPHX1ZDHHC20ZDHHC2
SCHEMBL3298402 0.84 PAOX (0.33) PAOXGNAI3GNAO1GNAI1MEN1
SCHEMBL3508069 0.81 PAOX (0.64) PAOXGNAI3GNAO1GNAI1SLC6A5
SCHEMBL110911 0.81 PAOX (0.64) PAOXGNAI3GNAO1GNAI1SLC6A5
SCHEMBL11524825 0.80 EPHX1 (0.48) MEN1KMT2AEPHX1ZDHHC20ZDHHC2
SCHEMBL7210069 0.80 PAOX (0.67) PAOXGNAI3GNAO1GNAI1SLC6A5
SCHEMBL8962152 0.80 PAOX (0.67) PAOXGNAI3GNAO1GNAI1SLC6A5
SCHEMBL7211245 0.80 PAOX (0.67) PAOXGNAI3GNAO1GNAI1SLC6A5

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-0403605-A4 ELASTASE INHIBITING POLYMERS AND METHODS UNIV KENTUCKY RES FOUND (US) 1991-08-21 EP disclosed
EP-0403605-A1 ELASTASE INHIBITING POLYMERS AND METHODS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1990-12-27 EP disclosed