SCHEMBL12986381

SCHEMBL12986381

COc1cc(OC)c2c(-c3ccc(OC)c(O)c3)cc(=O)oc2c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.71
▸ ALDH1A1 P00352 9/20 0.69
▸ HPGD P15428 7/20 0.67
▸ PAX8 Q06710 1/20 0.67
▸ TDP1 Q9NUW8 2/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ DPP4 P27487 1/20 0.59
▸ XDH P47989 1/20 0.59
▸ ABCB1 P08183 1/20 0.58
▸ ABCC1 P33527 1/20 0.58
▸ ABCG2 Q9UNQ0 1/20 0.58

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
SCHEMBL29367989 0.89 MAPT (0.60) MAPTALDH1A1HPGDPAX8MEN1
SCHEMBL30140588 0.85 ALDH1A1 (0.82) MAPTALDH1A1HPGDPAX8TDP1
SCHEMBL12986562 0.85 MAPT (0.58) MAPTALDH1A1HPGDPAX8TDP1
SCHEMBL24687232 0.83 MAPT (1.00) MAPTALDH1A1HPGDPAX8TDP1
SCHEMBL12985924 0.82 NOD2 (0.65) ALDH1A1HPGDTDP1KMT2AABCB1
SCHEMBL12986941 0.82 ALDH1A1 (0.76) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL12986397 0.82 ALDH1A1 (0.60) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL29435850 0.82 PLG (0.67) MAPTALDH1A1HPGDTDP1MEN1
SCHEMBL16894667 0.81 ABCB1 (0.74) ALDH1A1MEN1KMT2ADPP4XDH
SCHEMBL16522237 0.81 ALDH1A1 (0.66) MAPTALDH1A1HPGDPAX8TDP1

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
WO-2012136910-A1 DERIVATIVES OF 4-ARYLCOUMARIN AND 4-ARYLQUINOLINE, THERAPEUTIC USES THEREOF AND METHOD FOR SYNTHESISING SAME UNIVERSITÉ DE MARSEILLE (FR) 2012-10-11 — — WO claimed
CN-106674176-B 7-substituted-4-aryl coumarin compound and preparation method and application thereof 西安交通大学 2019-12-24 — — CN disclosed
WO-2012136910-A1 DERIVATIVES OF 4-ARYLCOUMARIN AND 4-ARYLQUINOLINE, THERAPEUTIC USES THEREOF AND METHOD FOR SYNTHESISING SAME UNIVERSITÉ DE MARSEILLE (FR) 2012-10-11 — — WO disclosed
WO-2012136910-A1 DERIVATIVES OF 4-ARYLCOUMARIN AND 4-ARYLQUINOLINE, THERAPEUTIC USES THEREOF AND METHOD FOR SYNTHESISING SAME UNIVERSITÉ DE MARSEILLE (FR) 2012-10-11 — — WO disclosed
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