SCHEMBL9719067

SCHEMBL9719067

CCCOc1c(OC)cc(C(CCC(C(=O)O)c2cc(OC)c(OC)c(OC)c2)C(=O)O)cc1SC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.36
PTAFR P25105 7/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36

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
SCHEMBL9829357 0.83 TUBB4A (0.41) SMN1; SMN2ALDH1A1L3MBTL1PTAFRTUBB4A
SCHEMBL9719908 0.81 L3MBTL1 (0.46) ALDH1A1L3MBTL1MAPTMAPK1TUBB4A
SCHEMBL9719960 0.81 L3MBTL1 (0.38) SMN1; SMN2ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL9719058 0.80 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL9723254 0.78 CCR1 (0.38) SMN1; SMN2ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL9829388 0.76 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL12499466 0.75 AKR1C3 (0.54) ALDH1A1L3MBTL1MAPTMAPK1TUBB4A
SCHEMBL500044 0.75 AKR1C3 (0.54) ALDH1A1L3MBTL1MAPTMAPK1TUBB4A
SCHEMBL7166547 0.75 AKR1C3 (0.54) ALDH1A1L3MBTL1MAPTMAPK1TUBB4A
SCHEMBL9719048 0.74 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1L3MBTL1MAPTRAB9A

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 4 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
EP-0257921-A2 New 1,3-diaryl cyclopentanes and derivatives thereof as paf antagonists MERCK & CO. INC. (US) 1988-03-02 EP disclosed