SCHEMBL9691701

SCHEMBL9691701

CCCOc1c(OCc2ccccc2)cc(C(=O)CCC(=O)c2cc(OC)c(OC)c(OC)c2)cc1S(=O)(=O)CCO

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 6/20 0.52
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABCB1 P08183 1/20 0.40
SMPD1 P17405 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8109885 0.89 PTAFR (0.61) PTAFRRAB9ASMN1; SMN2
SCHEMBL9100513 0.89 NPC1 (0.47) PTAFRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL9692071 0.88 SMN1; SMN2 (0.47) PTAFRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL9691100 0.87 SMN1; SMN2 (0.45) NPC1HPGDRAB9ASMN1; SMN2ABCB1
SCHEMBL9691132 0.83 PTAFR (0.53) PTAFRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL9691535 0.81 PTAFR (0.81) PTAFR
SCHEMBL9691538 0.81 PTAFR (0.81) PTAFR
SCHEMBL9691546 0.81 PTAFR (0.81) PTAFR
SCHEMBL9100958 0.80 NPC1 (0.48) NPC1HPGDRAB9ASMN1; SMN2ABCB1
SCHEMBL9099229 0.78 PTAFR (0.43) PTAFRNPC1HPGDRAB9ASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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