SCHEMBL9719916

SCHEMBL9719916

CCCOc1c(Br)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]2OC)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
PTAFR P25105 13/20 0.46
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9719023 1.00 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL9719025 1.00 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL9719098 1.00 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL9768066 1.00 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL9719019 1.00 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL9719086 0.88 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL9719150 0.85 TUBB4A (0.47) PTAFR
SCHEMBL9719162 0.85 TUBB4A (0.47) PTAFR
SCHEMBL9719952 0.85 TUBB4A (0.47) PTAFR
SCHEMBL10642353 0.85 TUBB4A (0.47) 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 1 patent. 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