SCHEMBL8663271

SCHEMBL8663271

C=COCCCCCN(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL8663427 1.00 MEN1 (0.44) MEN1POLBKMT2AALDH1A1MAOB
SCHEMBL1222465 1.00 MEN1 (0.44) MEN1POLBKMT2AALDH1A1MAOB
SCHEMBL3071581 0.98 MEN1 (0.45) MEN1POLBKMT2AALDH1A1MAOB
SCHEMBL358619 0.91 MEN1 (0.47) MEN1POLBKMT2AALDH1A1MAOB
SCHEMBL8660270 0.86 MAOA (0.39) MAOBMAOABCHEACHE
SCHEMBL8660667 0.86 MAOA (0.39) MAOBMAOABCHEACHE
SCHEMBL8664146 0.86 THRA (0.36) MAOBMAOABCHEACHE
SCHEMBL8665332 0.83 BCHE (0.34) BCHEACHECYP3A4CYP2D6
SCHEMBL358450 0.83 MEN1 (0.44) MEN1POLBKMT2AALDH1A1
SCHEMBL8665072 0.83 MAOA (0.37) MEN1POLBKMT2AMAOBMAOA

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-2768611-B1 PROCESS FOR HYDROGENATION OF NITRILE RUBBER USING CATALYST COMPOSITIONS COMPRISING A GRUBBS-HOVEYDA TYPE COMPLEX AND A TERMINAL OLEFIN ARLANXEO DEUTSCHLAND GMBH (DE) 2018-08-01 EP disclosed
EP-0458479-B1 Pigment dispersing agent NIPPON OILS & FATS CO LTD (JP) 1998-11-25 EP disclosed
US-5244979-A Paints NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1993-09-14 US disclosed
EP-0458479-A2 Pigment dispersing agent NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-11-27 EP disclosed