SCHEMBL6665079

SCHEMBL6665079

Cc1cc(=O)oc2ccc(Oc3ccc4oc(=O)cc(C)c4c3)cc12

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.78
KDM4E B2RXH2 12/20 0.78
HPGD P15428 7/20 0.78
HSD17B10 Q99714 5/20 0.78
STS P08842 1/20 0.68
GAA P10253 3/20 0.64
PKM P14618 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.56
MAOA P21397 1/20 0.53
GLA P06280 1/20 0.53
ACHE P22303 1/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL7115071 0.88 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10STS
SCHEMBL7116035 0.83 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10STS
SCHEMBL30659739 0.81 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10STS
SCHEMBL12475243 0.80 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDHSD17B10STS
SCHEMBL3076112 0.80 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDHSD17B10STS
SCHEMBL30636721 0.79 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10STS
SCHEMBL67818 0.79 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10STS
SCHEMBL1358175 0.79 STS (0.71) ALDH1A1KDM4EHPGDHSD17B10STS
SCHEMBL27523022 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10STS
SCHEMBL11886574 0.78 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10STS

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-2004022703-A2 NON-NUCLEOSIDIC COUMARIN DERIVATIVES AS POLYNUCLEOTIDE-CROSSLINKING AGENTS NAXCOR, INC. (US) 2004-03-18 WO disclosed