SCHEMBL9099229

SCHEMBL9099229

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.43
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
ABCB1 P08183 1/20 0.38
SMPD1 P17405 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL9100757 0.91 PTAFR (0.48) PTAFRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL7666317 0.91 PTAFR (0.48) PTAFRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL9100513 0.89 NPC1 (0.47) PTAFRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL9691132 0.81 PTAFR (0.53) PTAFRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL10448547 0.81 PTAFR (0.58) PTAFRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9691701 0.78 PTAFR (0.52) PTAFRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL10448821 0.78 PTAFR (0.57) PTAFRRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9859957 0.76 PTAFR (0.45) PTAFRRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9859903 0.76 PTAFR (0.45) PTAFRRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9100958 0.75 NPC1 (0.48) NPC1HPGDRAB9ASMN1; SMN2LMNA

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