SCHEMBL11769082

SCHEMBL11769082

CCCCCCCCc1cc(S(=O)(=O)O)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 6/20 0.52
▸ AKR1B1 P15121 1/20 0.49
▸ TTR P02766 8/20 0.46
▸ LTB4R2 Q9NPC1 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ PTGER3 P43115 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTGDR Q13258 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ S1PR3 Q99500 1/20 0.38
▸ RARB P10826 1/20 0.36

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
SCHEMBL11770512 0.92 LTB4R (0.52) LTB4RAKR1B1TTRLTB4R2KDM4E
SCHEMBL11771289 0.92 LTB4R (0.52) LTB4RAKR1B1TTRLTB4R2KDM4E
SCHEMBL11769460 0.92 AKR1B1 (0.53) LTB4RAKR1B1TTRLTB4R2KDM4E
SCHEMBL11768452 0.91 LTB4R (0.52) LTB4RAKR1B1TTRLTB4R2KDM4E
SCHEMBL11769239 0.91 LTB4R (0.52) LTB4RAKR1B1TTRLTB4R2KDM4E
SCHEMBL11772500 0.90 LTB4R (0.51) LTB4RAKR1B1TTRLTB4R2KDM4E
Sudexanox SCHEMBL268953 0.90 LTB4R (0.51) LTB4RAKR1B1TTRLTB4R2KDM4E
Sudexanox SCHEMBL29678422 0.90 LTB4R (0.51) LTB4RAKR1B1TTRLTB4R2KDM4E
SCHEMBL11768721 0.89 LTB4R (0.50) LTB4RAKR1B1TTRLTB4R2KDM4E
SCHEMBL11768755 0.89 LTB4R (0.50) LTB4RAKR1B1TTRLTB4R2KDM4E

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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