SCHEMBL10895137

SCHEMBL10895137

CCOc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.62
▸ ALDH1A1 P00352 6/20 0.62
▸ HPGD P15428 6/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ TP53 P04637 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ PTGER1 P34995 1/20 0.62
▸ PTGER3 P43115 1/20 0.62
▸ PTGER2 P43116 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ PTGDR Q13258 1/20 0.62
▸ TTR P02766 6/20 0.59
▸ MAPK1 P28482 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ ACSL1 P33121 2/20 0.54
▸ ACSL6 Q9UKU0 2/20 0.54
▸ AKR1B1 P15121 1/20 0.53
▸ LTB4R Q15722 2/20 0.53
▸ NPC1 O15118 1/20 0.51

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
SCHEMBL10452818 0.94 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL11860605 0.94 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10452917 0.92 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10452916 0.92 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7542790 0.85 ACSL1 (0.59) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL11768031 0.85 TTR (0.56) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL11768716 0.85 TTR (0.52) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10896617 0.85 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL1105126 0.85 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10893810 0.84 ACSL1 (0.61) KDM4EALDH1A1HPGDHSD17B10MEN1

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
US-4626432-A 7-HYDROXY-OR ALKOXYXANTHONE-2-CARBOXYLIC ACID BURROUGHS WELLCOME CO. (US) 1986-12-02 — — US disclosed
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