SCHEMBL4251141

SCHEMBL4251141

C=C(C)OC(=O)NCCCN(CCCN)CCCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
ACHE P22303 12/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
DNM1 Q05193 1/20 0.38
PAOX Q6QHF9 2/20 0.37

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
SCHEMBL4255369 0.82 EPHX1 (0.43) EPHX1GNAI3GNAO1GNAI1ACHE
SCHEMBL4256129 0.80 TDP1 (0.54) EPHX1GNAI3GNAO1GNAI1ACHE
SCHEMBL4251056 0.80 TSHR (0.43) EPHX1ACHE
SCHEMBL7262237 0.79 GNAI3 (0.44) EPHX1GNAI3GNAO1GNAI1SIRT6
SCHEMBL12093782 0.78 ACHE (0.57) EPHX1ACHE
SCHEMBL4257756 0.78 ACHE (0.47) ACHE
SCHEMBL4251051 0.77 ZDHHC20 (0.64) EPHX1GNAI3GNAO1GNAI1SIRT6
SCHEMBL22920320 0.77 EPHX1 (0.72) EPHX1ACHEDNM1
SCHEMBL291199 0.74 DNM1 (0.45) EPHX1DNM1
SCHEMBL292986 0.74 DNM1 (0.45) EPHX1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2105450-A1 Antimicrobial polymers Catalyse SARL (FR) 2009-09-30 EP disclosed