SCHEMBL9719033

SCHEMBL9719033

COc1cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)C2OCC(=O)N(C)C)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 6/20 0.40
TUBB P07437 6/20 0.40
TUBA3C P0DPH7 6/20 0.40
TUBA1B P68363 6/20 0.40
TUBA4A P68366 6/20 0.40
TUBB4B P68371 6/20 0.40
TUBB3 Q13509 6/20 0.40
TUBB2A Q13885 6/20 0.40
TUBB8 Q3ZCM7 6/20 0.40
TUBA3E Q6PEY2 6/20 0.40
TUBA1A Q71U36 6/20 0.40
TUBA1C Q9BQE3 6/20 0.40
TUBB6 Q9BUF5 6/20 0.40
TUBB2B Q9BVA1 6/20 0.40
TUBB1 Q9H4B7 6/20 0.40
PTAFR P25105 3/20 0.40
SIGMAR1 Q99720 2/20 0.39
ABCB1 P08183 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL9719030 1.00 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9719045 0.85 PTAFR (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9719053 0.85 PTAFR (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9719914 0.83 ALDH1A1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9719911 0.83 ALDH1A1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9719021 0.75 PTAFR (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9719110 0.75 PTAFR (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9719018 0.75 PTAFR (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9719096 0.73 PTAFR (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9719091 0.73 PTAFR (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5132463-A Cardiovascular, skin, kidney, respiratory system, and gastrointestinal disorders MERCK & CO., INC. (US) 1992-07-21 US disclosed
EP-0257921-B1 NEW 1,3-DIARYL CYCLOPENTANES AND DERIVATIVES THEREOF AS PAF ANTAGONISTS MERCK & CO. INC. (US) 1992-04-15 EP disclosed
US-5047420-A Platelet activating factor MERCK & CO., INC. (US) 1991-09-10 US disclosed