SCHEMBL3632464

SCHEMBL3632464

COc1ccc(COc2c(Br)cc(C=CCO)cc2Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 1/20 0.50
▸ TUBB4A P04350 1/20 0.50
▸ TUBB P07437 1/20 0.50
▸ TUBA3C P0DPH7 1/20 0.50
▸ TUBA1B P68363 1/20 0.50
▸ TUBA4A P68366 1/20 0.50
▸ TUBB4B P68371 1/20 0.50
▸ TUBB3 Q13509 1/20 0.50
▸ TUBB2A Q13885 1/20 0.50
▸ TUBB8 Q3ZCM7 1/20 0.50
▸ TUBA3E Q6PEY2 1/20 0.50
▸ TUBA1A Q71U36 1/20 0.50
▸ TUBA1C Q9BQE3 1/20 0.50
▸ TUBB6 Q9BUF5 1/20 0.50
▸ TUBB2B Q9BVA1 1/20 0.50
▸ TUBB1 Q9H4B7 1/20 0.50
▸ LMNA P02545 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48

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
SCHEMBL3631073 0.85 TUBB4A (0.50) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3633352 0.82 NPC1 (0.48) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3629871 0.81 NPC1 (0.59) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3237857 0.74 MAOB (0.55) TNFRSF1AMAPTFFAR1NPC1RAB9A
SCHEMBL6585786 0.73 ALOX5 (0.56) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6585779 0.73 ALOX5 (0.56) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1278751 0.73 KDM4E (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1278753 0.73 KDM4E (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31063184 0.73 TUBB1 (0.41) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3632462 0.73 FFAR1 (0.47) TNFRSF1ALMNAMAPTMEN1KMT2A

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-2142498-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF Institute for Oneworld Health (US) 2010-01-13 — — EP disclosed
WO-2008121877-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH (US) 2008-10-09 — — WO disclosed
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