SCHEMBL9719044

SCHEMBL9719044

COc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)C2O)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.55
TUBB4A P04350 9/20 0.53
TUBB P07437 9/20 0.53
TUBA3C P0DPH7 9/20 0.53
TUBA1B P68363 9/20 0.53
TUBA4A P68366 9/20 0.53
TUBB4B P68371 9/20 0.53
TUBB3 Q13509 9/20 0.53
TUBB2A Q13885 9/20 0.53
TUBB8 Q3ZCM7 9/20 0.53
TUBA3E Q6PEY2 9/20 0.53
TUBA1A Q71U36 9/20 0.53
TUBA1C Q9BQE3 9/20 0.53
TUBB6 Q9BUF5 9/20 0.53
TUBB2B Q9BVA1 9/20 0.53
TUBB1 Q9H4B7 9/20 0.53
ACHE P22303 2/20 0.47
PTPN1 P18031 1/20 0.47
MAPT P10636 3/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL9719054 1.00 PTAFR (0.55) PTAFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9719096 0.81 PTAFR (0.55) PTAFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10578730 0.81 PTAFR (0.55) PTAFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9719101 0.81 PTAFR (0.55) PTAFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9719091 0.81 PTAFR (0.55) PTAFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9719086 0.81 ALDH1A1 (0.50) PTAFRMAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL9719888 0.79 PTAFR (0.53) PTAFRTUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL9719889 0.79 PTAFR (0.53) PTAFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9719122 0.79 PTAFR (0.44) PTAFR
SCHEMBL9719014 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 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