SCHEMBL3624253

SCHEMBL3624253

CCCOc1cc(OCCC)c(OBOc2c(OCCC)cc(OCCC)cc2OCCC)c(OCCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.41
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 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
SCHEMBL4962040 0.76 LTA4H (0.46) ADORA3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16575398 0.75 MAPT (0.41) ADORA3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5252599 0.74 KMT2A (0.40) ADORA3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9247248 0.74 KMT2A (0.40) ADORA3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7305599 0.74 LTA4H (0.47) ADORA3KMT2AMAPTMEN1ALDH1A1
SCHEMBL7305592 0.74 KMT2A (0.41) ADORA3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16575428 0.74 KMT2A (0.40) ADORA3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL91974 0.73 LTA4H (0.48) KMT2AMAPTMEN1LTA4HNPC1
SCHEMBL12963218 0.72 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9311655 0.72 KMT2A (0.39) ADORA3TUBB4ATUBBTUBA3CTUBA1B

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-1739151-B1 Mesogenic compounds, liquid crystal medium and liquid display MERCK PATENT GMBH (DE) 2010-09-15 EP disclosed
EP-1739151-A1 Mesogenic compounds, liquid crystal medium and liquid display MERCK PATENT GmbH (DE) 2007-01-03 EP disclosed