SCHEMBL13343316

SCHEMBL13343316

COc1ccc(/C=C/C(=O)Cc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.59
▸ MAPT P10636 6/20 0.58
▸ RAB9A P51151 5/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ LMNA P02545 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ TRPV1 Q8NER1 1/20 0.56
▸ APP P05067 1/20 0.56
▸ GSK3B P49841 1/20 0.55
▸ MAOA P21397 1/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53

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
SCHEMBL13343314 0.84 TNFRSF1A (0.68) ABCG2MAPTALDH1A1KDM4EMEN1
SCHEMBL9548237 0.82 MAPT (0.60) MAPTRAB9AALDH1A1NPC1KDM4E
SCHEMBL9548241 0.82 MAPT (0.60) MAPTRAB9AALDH1A1NPC1KDM4E
SCHEMBL25123555 0.82 GSK3B (0.75) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL28132567 0.82 GSK3B (0.75) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6856291 0.81 HPGD (0.70) ABCG2MAPTRAB9AALDH1A1NPC1
SCHEMBL14518414 0.81 ALDH1A1 (0.70) RAB9AALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL28549137 0.79 RAB9A (0.73) ABCG2MAPTRAB9AALDH1A1NPC1
SCHEMBL25203201 0.79 RAB9A (0.70) MAPTRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL15971671 0.78 KDM4E (0.74) ABCG2MAPTRAB9AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709526-B2 Use of cyclolignans and new cyclolignans BIOVITRUM AB (SE) 2010-05-04 — — US disclosed
US-7709526-B2 Use of cyclolignans and new cyclolignans BIOVITRUM AB (SE) 2010-05-04 — — US disclosed
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