SCHEMBL12986562

SCHEMBL12986562

COc1ccc(-c2cc(=O)oc3cccc(OC)c23)cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.58
▸ EGFR P00533 1/20 0.57
▸ KDR P35968 1/20 0.57
▸ ALDH1A1 P00352 10/20 0.54
▸ HPGD P15428 6/20 0.54
▸ PAX8 Q06710 1/20 0.54
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ PTGES O14684 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TUBB4A P04350 1/20 0.49
▸ TUBB P07437 1/20 0.49

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
SCHEMBL13191308 0.90 MAPT (0.56) MAPTALDH1A1HPGDPAX8MEN1
SCHEMBL29367989 0.86 MAPT (0.60) MAPTEGFRKDRALDH1A1HPGD
SCHEMBL12986381 0.85 MAPT (0.71) MAPTALDH1A1HPGDPAX8MEN1
SCHEMBL12986397 0.84 ALDH1A1 (0.60) MAPTEGFRKDRALDH1A1HPGD
SCHEMBL12986712 0.84 EGFR (0.64) MAPTEGFRKDRALDH1A1HPGD
SCHEMBL12986941 0.82 ALDH1A1 (0.76) MAPTKDRALDH1A1HPGDMEN1
SCHEMBL12986680 0.80 KDR (0.65) MAPTEGFRKDRALDH1A1HPGD
SCHEMBL5342730 0.80 MAOA (0.56) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL12986716 0.78 EGFR (0.62) MAPTEGFRKDRALDH1A1HPGD
SCHEMBL12985974 0.77 EGFR (0.61) MAPTEGFRKDRALDH1A1HPGD

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
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
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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