SCHEMBL11767979

SCHEMBL11767979

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 7/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ PTGER1 P34995 1/20 0.50
▸ PTGER3 P43115 1/20 0.50
▸ PTGER2 P43116 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PTGDR Q13258 1/20 0.50
▸ LTB4R Q15722 6/20 0.48
▸ LTB4R2 Q9NPC1 2/20 0.48
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ RECQL P46063 1/20 0.42

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
SCHEMBL11768811 0.91 LTB4R (0.50) TTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11767853 0.90 TTR (0.49) TTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11767090 0.89 LTB4R (0.58) TTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11492234 0.89 KDM4E (0.48) TTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11766718 0.87 ALDH1A1 (0.53) TTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11768716 0.86 TTR (0.52) TTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11768031 0.86 TTR (0.56) TTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11769569 0.85 ALDH1A1 (0.66) TTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11775457 0.83 TTR (0.49) TTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11772555 0.83 KDM4E (0.52) TTRKDM4EALDH1A1HPGDHSD17B10

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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