SCHEMBL5795794

SCHEMBL5795794

COc1ccc(COc2ccccc2-c2oc3ccccc3c(=O)c2CCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.51
▸ KDM4E B2RXH2 6/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ABCG2 Q9UNQ0 2/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP19A1 P11511 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ PPARG P37231 2/20 0.44
▸ ALOX15 P16050 1/20 0.43

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
SCHEMBL12205565 0.75 MAOA (0.65) KDM4EALDH1A1NPC1CA1CA2
SCHEMBL5795210 0.73 NMUR2 (0.47) ABCB1KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL29128892 0.72 KDM4E (0.69) KDM4EALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL30558215 0.72 ABCG2 (0.66) KDM4EALDH1A1CYP3A4HSD17B10CYP2C9
SCHEMBL29080548 0.72 ABCG2 (0.66) KDM4EALDH1A1CYP3A4HSD17B10CYP2C9
SCHEMBL29080541 0.71 ABCG2 (0.52) ABCB1KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL27250718 0.71 MAPT (0.70) ABCB1KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL10769734 0.71 ABCG2 (0.72) KDM4EALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL30558252 0.70 ABCG2 (0.67) KDM4EALDH1A1CYP3A4HSD17B10TSHR
SCHEMBL29080543 0.70 ABCG2 (0.67) KDM4EALDH1A1CYP3A4HSD17B10TSHR

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
WO-2006042007-A2 CHROMENONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2006-04-20 — — WO disclosed
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