SCHEMBL11766890

SCHEMBL11766890

CCOc1cc(C(O)CC)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ PTGER1 P34995 1/20 0.48
▸ PTGER3 P43115 1/20 0.48
▸ PTGER2 P43116 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PTGDR Q13258 1/20 0.48
▸ TTR P02766 8/20 0.48
▸ LTB4R Q15722 5/20 0.46
▸ AKR1B1 P15121 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ LTB4R2 Q9NPC1 2/20 0.39

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
SCHEMBL11769304 0.93 LTB4R (0.48) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL11773544 0.92 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL11767789 0.91 LTB4R (0.55) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL11772555 0.90 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL11770669 0.90 KMT2A (0.60) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL11771174 0.87 TTR (0.52) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL11771452 0.85 TTR (0.50) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL11768031 0.84 TTR (0.56) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL11768716 0.84 TTR (0.52) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL11767092 0.84 TTR (0.49) KDM4EALDH1A1HPGDHSD17B10TP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3989721-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-11-02 — — US disclosed
US-3989720-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-11-02 — — US disclosed
US-3988352-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-10-26 — — US disclosed
US-3979414-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-09-07 — — US disclosed
US-3965115-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-22 — — US disclosed
US-3963753-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-15 — — US disclosed
US-3963752-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-15 — — US disclosed
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