SCHEMBL9719059

SCHEMBL9719059

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR2 P34972 4/20 0.34
PTAFR P25105 4/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31

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
SCHEMBL9719015 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL9719050 0.79 KMT2A (0.41) ALDH1A1KDM4EMEN1KMT2ACNR2
SCHEMBL9719116 0.75 CASP1 (0.36) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL9719048 0.72 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL9829388 0.69 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL9719055 0.67 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL9723254 0.67 CCR1 (0.38) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL9719016 0.67 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL9719067 0.66 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2APTAFR
SCHEMBL3007307 0.65 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A

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