SCHEMBL16620084

SCHEMBL16620084

CCOC(=O)CN1CCc2cc(Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
AOC3 Q16853 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ABHD6 Q9BV23 1/20 0.43

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
SCHEMBL21198548 0.92 CHRM2 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30823726 0.92 CHRM2 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19510855 0.85 NOTUM (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5940278 0.84 NOTUM (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14061622 0.84 AOC3 (0.60) AOC3LMNAMAPTALDH1A1HSD17B10
SCHEMBL29505381 0.84 AOC3 (0.60) AOC3LMNAMAPTALDH1A1HSD17B10
SCHEMBL19778026 0.81 HTR2A (0.47) AOC3HTR2AHTR2CHTR2BNOTUM
SCHEMBL19778025 0.81 MEN1 (0.49) AOC3LMNAMAPTALDH1A1HTT
SCHEMBL5660336 0.81 NOTUM (0.61) NOTUMCHRM2CHRM4CHRM1CHRM3
SCHEMBL15522229 0.80 HDAC1 (0.53) HDAC1HDAC8HDAC6CYP1A2LMNA

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
WO-2015049667-A1 NOVEL COMPOUND AS A DIACYLGLYCEROL ACYLTRANSFERASE INHIBITOR GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-04-09 WO disclosed
WO-2015049667-A1 NOVEL COMPOUND AS A DIACYLGLYCEROL ACYLTRANSFERASE INHIBITOR GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-04-09 WO disclosed