SCHEMBL9100757

SCHEMBL9100757

CCCOc1c(OCc2ccccc2)cc([C@@H](O)CCC(O)c2cc(OC)c(OC)c(OC)c2)cc1S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 8/20 0.48
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 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
SCHEMBL7666317 1.00 PTAFR (0.48) PTAFRLMNANPC1HPGDRAB9A
SCHEMBL9099229 0.91 PTAFR (0.43) PTAFRLMNANPC1HPGDRAB9A
SCHEMBL9691132 0.89 PTAFR (0.53) PTAFRLMNANPC1HPGDRAB9A
SCHEMBL10448547 0.89 PTAFR (0.58) PTAFRRAB9ASMN1; SMN2TUBB4ATUBB
SCHEMBL9100513 0.82 NPC1 (0.47) PTAFRLMNANPC1HPGDRAB9A
SCHEMBL7664605 0.79 PTAFR (0.80) PTAFR
SCHEMBL7664613 0.79 PTAFR (0.80) PTAFR
SCHEMBL7664609 0.79 PTAFR (0.80) PTAFR
SCHEMBL9859410 0.77 PTAFR (0.63) PTAFRSMN1; SMN2TUBB4ATUBBTUBA3C
SCHEMBL9692253 0.72 PTAFR (0.67) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0402151-B1 New 2, 5-diaryl tetrahydrofurans and analogs thereof as paf antagonists MERCK & CO INC (US) 1996-02-07 EP disclosed
US-5114961-A 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO., INC. (US) 1992-05-19 US disclosed
US-4996203-A Platelet-activating factor antagonists MERCK & CO., INC. (US) 1991-02-26 US disclosed
EP-0402150-A1 New 2,5-diaryl tetrahydrofurans and analogs therof as PAF antagonists MERCK & CO. INC. (US) 1990-12-12 EP disclosed
EP-0402151-A1 New 2, 5-diaryl tetrahydrofurans and analogs thereof as paf antagonists MERCK & CO. INC. (US) 1990-12-12 EP disclosed
US-4977146-A ANTICOAGULANT MERCK & CO., INC. (US) 1990-12-11 US disclosed