SCHEMBL11768029

SCHEMBL11768029

CCCCCCCCCCCCc1cc(SC)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 6/20 0.53
▸ TTR P02766 8/20 0.47
▸ AKR1B1 P15121 1/20 0.40
▸ LTB4R2 Q9NPC1 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PTGER1 P34995 1/20 0.40
▸ PTGER3 P43115 1/20 0.40
▸ PTGER2 P43116 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTGDR Q13258 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ RARB P10826 2/20 0.37

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
SCHEMBL11766896 1.00 LTB4R (0.53) LTB4RTTRAKR1B1LTB4R2KDM4E
SCHEMBL11767232 1.00 LTB4R (0.53) LTB4RTTRAKR1B1LTB4R2KDM4E
SCHEMBL11774586 0.99 LTB4R (0.52) LTB4RTTRAKR1B1LTB4R2KDM4E
SCHEMBL11766679 0.96 LTB4R (0.50) LTB4RTTRAKR1B1LTB4R2KDM4E
SCHEMBL11768520 0.92 TTR (0.50) LTB4RTTRAKR1B1LTB4R2KDM4E
SCHEMBL11772871 0.88 TTR (0.53) LTB4RTTRAKR1B1LTB4R2KDM4E
SCHEMBL11767862 0.86 LTB4R (0.56) LTB4RTTRAKR1B1LTB4R2KDM4E
SCHEMBL11768237 0.85 LTB4R (0.55) LTB4RTTRAKR1B1LTB4R2KDM4E
SCHEMBL11771256 0.85 LTB4R (0.54) LTB4RTTRAKR1B1LTB4R2KDM4E
SCHEMBL11767218 0.85 LTB4R (0.62) LTB4RTTRLTB4R2ALDH1A1TP53

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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