SCHEMBL9719087

SCHEMBL9719087

COc1cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.58
ACHE P22303 3/20 0.50
MAPT P10636 3/20 0.50
TSHR P16473 2/20 0.50
PTPN1 P18031 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TUBB4A P04350 7/20 0.47
TUBB P07437 7/20 0.47
TUBA3C P0DPH7 7/20 0.47
TUBA1B P68363 7/20 0.47
TUBA4A P68366 7/20 0.47
TUBB4B P68371 7/20 0.47
TUBB3 Q13509 7/20 0.47
TUBB2A Q13885 7/20 0.47
TUBB8 Q3ZCM7 7/20 0.47
TUBA3E Q6PEY2 7/20 0.47
TUBA1A Q71U36 7/20 0.47
TUBA1C Q9BQE3 7/20 0.47
TUBB6 Q9BUF5 7/20 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
SCHEMBL10641459 1.00 PTAFR (0.58) PTAFRACHEMAPTTSHRPTPN1
SCHEMBL9719080 1.00 PTAFR (0.58) PTAFRACHEMAPTTSHRPTPN1
SCHEMBL29267402 0.91 PTAFR (0.62) PTAFRACHEMAPTTSHRPTPN1
SCHEMBL11763395 0.86 PTAFR (0.56) PTAFRACHEMAPTTSHRPTPN1
SCHEMBL8109671 0.80 PTAFR (0.47) PTAFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5584988 0.79 TGFBR1 (0.56) PTAFRACHEMAPTTSHRPTPN1
SCHEMBL5584986 0.79 PTAFR (0.53) PTAFRACHEMAPTTSHRPTPN1
SCHEMBL22048045 0.77 PDE4A (0.56) PTAFRACHEMAPTTSHRPTPN1
SCHEMBL28284932 0.74 HTR2A (0.59) MAPK1
SCHEMBL7023428 0.73 PTAFR (0.56) PTAFRACHEMAPTTSHRPTPN1

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