SCHEMBL9719086

SCHEMBL9719086

CCCOc1c(Br)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)C2O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTAFR P25105 14/20 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
SCHEMBL9719024 0.88 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2HPGDMEN1HTT
SCHEMBL9719019 0.88 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDMEN1HTT
SCHEMBL9719098 0.88 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDMEN1HTT
SCHEMBL9719916 0.88 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDMEN1HTT
SCHEMBL9719023 0.88 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDMEN1HTT
SCHEMBL9719025 0.88 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDMEN1HTT
SCHEMBL9768066 0.88 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDMEN1HTT
SCHEMBL9724051 0.83 PTAFR (0.44) PTAFR
SCHEMBL9719017 0.83 PTAFR (0.44) PTAFR
SCHEMBL9719122 0.83 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