SCHEMBL9719922

SCHEMBL9719922

CCCSc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2OCC(=O)OCC)cc(OC)c1OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 2/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35
TUBB8 Q3ZCM7 2/20 0.35
TUBA3E Q6PEY2 2/20 0.35
TUBA1A Q71U36 2/20 0.35
TUBA1C Q9BQE3 2/20 0.35

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
SCHEMBL9719921 1.00 POLB (0.39) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL9719903 0.89 BPTF (0.35) POLBALDH1A1KDM4EGAATUBB4A
SCHEMBL9719906 0.89 BPTF (0.35) POLBALDH1A1KDM4EGAATUBB4A
SCHEMBL9719911 0.87 ALDH1A1 (0.49) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL9719914 0.87 ALDH1A1 (0.49) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL9719894 0.75 PTAFR (0.37) ALDH1A1KDM4ESMN1; SMN2PTAFRTSHR
SCHEMBL9719053 0.73 PTAFR (0.43) ALDH1A1KDM4EKMT2AMEN1CYP1A2
SCHEMBL9719045 0.73 PTAFR (0.43) ALDH1A1KDM4EKMT2AMEN1CYP1A2
SCHEMBL9719030 0.72 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9719033 0.72 TUBB4A (0.40) 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 2 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
US-5047420-A Platelet activating factor MERCK & CO., INC. (US) 1991-09-10 US disclosed