SCHEMBL8463184

SCHEMBL8463184

CC=CCN(c1ccc(OCC)cc1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CACNA1B Q00975 1/20 0.39
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NQO1 P15559 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 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
SCHEMBL8463181 1.00 NPC1 (0.40) NPC1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL8462620 0.83 MAPT (0.45) NPC1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL8459889 0.78 NPC1 (0.41) NPC1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL8459743 0.75 NQO1 (0.47) NPC1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL8460011 0.70 MEN1 (0.45) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL4474636 0.69 ADH1C (0.41) KMT2ARAB9AMEN1GAAL3MBTL1
SCHEMBL4484272 0.69 ADH1C (0.41) KMT2ARAB9AMEN1GAAL3MBTL1
SCHEMBL10902289 0.67 HPGD (0.46) NPC1ALDH1A1KMT2AMAPTRAB9A
SCHEMBL4485628 0.66 TRPV1 (0.48)
SCHEMBL8458867 0.65 MEN1 (0.45) KMT2AMEN1

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-0531272-B1 Rubber compositions having reduced staining and discoloration SOLUTIA EUROP NV SA (BE) 1999-09-22 EP claimed
EP-0531272-A1 Rubber compositions having reduced staining and discoloration MONSANTO EUROPE S.A./N.V. (BE) 1993-03-10 EP claimed
EP-0531272-B1 Rubber compositions having reduced staining and discoloration SOLUTIA EUROP NV SA (BE) 1999-09-22 EP disclosed
EP-0531272-A1 Rubber compositions having reduced staining and discoloration MONSANTO EUROPE S.A./N.V. (BE) 1993-03-10 EP disclosed