SCHEMBL9719906

SCHEMBL9719906

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.35
PTAFR P25105 8/20 0.34
ABCB1 P08183 1/20 0.34
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 0.32
TUBA3E Q6PEY2 2/20 0.32

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
SCHEMBL9719903 1.00 BPTF (0.35) BPTFPTAFRABCB1ALDH1A1SMN1; SMN2
SCHEMBL9719921 0.89 POLB (0.39) PTAFRABCB1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9719922 0.89 POLB (0.39) PTAFRABCB1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9719870 0.81 PTAFR (0.48) BPTFPTAFRABCB1
SCHEMBL9719869 0.81 PTAFR (0.48) BPTFPTAFRABCB1
SCHEMBL9719894 0.76 PTAFR (0.37) PTAFRALDH1A1SMN1; SMN2KDM4E
SCHEMBL9719914 0.74 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EHPGDGAA
SCHEMBL9719911 0.74 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EHPGDGAA
SCHEMBL9719053 0.73 PTAFR (0.43) PTAFRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL9719045 0.73 PTAFR (0.43) PTAFRALDH1A1SMN1; SMN2KDM4EMAPK1

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