SCHEMBL9719092

SCHEMBL9719092

CCCOc1c(OC)cc([C@@H]2CC[C@@H](c3ccc(OC)c(OC)c3OC)[C@@H]2O)cc1SC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TUBB4A P04350 11/20 0.37
TUBB P07437 11/20 0.37
TUBA3C P0DPH7 11/20 0.37
TUBA1B P68363 11/20 0.37
TUBA4A P68366 11/20 0.37
TUBB4B P68371 11/20 0.37
TUBB3 Q13509 11/20 0.37
TUBB2A Q13885 11/20 0.37
TUBB8 Q3ZCM7 11/20 0.37
TUBA3E Q6PEY2 11/20 0.37
TUBA1A Q71U36 11/20 0.37
TUBA1C Q9BQE3 11/20 0.37
TUBB6 Q9BUF5 11/20 0.37
TUBB2B Q9BVA1 11/20 0.37
TUBB1 Q9H4B7 11/20 0.37
PTAFR P25105 7/20 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
SCHEMBL9719095 1.00 LMNA (0.38) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9719014 0.90 PTAFR (0.44) PTAFR
SCHEMBL9719122 0.90 PTAFR (0.44) PTAFR
SCHEMBL9724051 0.90 PTAFR (0.44) PTAFR
SCHEMBL9719017 0.90 PTAFR (0.44) PTAFR
SCHEMBL9724049 0.90 PTAFR (0.44) PTAFR
SCHEMBL9719881 0.90 PTAFR (0.44) PTAFR
SCHEMBL9719107 0.79 PTAFR (0.41) PTAFR
SCHEMBL10641571 0.79 PTAFR (0.44) PTAFR
SCHEMBL9719887 0.79 PTAFR (0.44) PTAFR

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
EP-0257921-B1 NEW 1,3-DIARYL CYCLOPENTANES AND DERIVATIVES THEREOF AS PAF ANTAGONISTS MERCK & CO. INC. (US) 1992-04-15 EP disclosed
EP-0257921-A2 New 1,3-diaryl cyclopentanes and derivatives thereof as paf antagonists MERCK & CO. INC. (US) 1988-03-02 EP disclosed