SCHEMBL11772327

SCHEMBL11772327

CCCCCCCCOc1cc(S(=O)(=O)O)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 7/20 0.61
▸ S1PR3 Q99500 1/20 0.49
▸ AKR1B1 P15121 1/20 0.48
▸ TTR P02766 3/20 0.45
▸ LTB4R2 Q9NPC1 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PTPN11 Q06124 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL11771255 0.94 LTB4R (0.53) LTB4RS1PR3AKR1B1TTRLTB4R2
SCHEMBL11765899 0.92 LTB4R (0.61) LTB4RS1PR3AKR1B1TTRLTB4R2
SCHEMBL11766632 0.92 LTB4R (0.61) LTB4RS1PR3AKR1B1TTRLTB4R2
SCHEMBL11765833 0.92 LTB4R (0.61) LTB4RS1PR3AKR1B1TTRLTB4R2
SCHEMBL11789694 0.92 LTB4R (0.61) LTB4RS1PR3AKR1B1TTRLTB4R2
SCHEMBL11774344 0.92 LTB4R (0.61) LTB4RS1PR3AKR1B1TTRLTB4R2
SCHEMBL11767398 0.91 LTB4R (0.60) LTB4RS1PR3AKR1B1TTRLTB4R2
SCHEMBL11769474 0.91 LTB4R (0.60) LTB4RS1PR3AKR1B1TTRLTB4R2
SCHEMBL11766812 0.90 LTB4R (0.59) LTB4RS1PR3AKR1B1TTRLTB4R2
SCHEMBL11767628 0.90 AKR1B1 (0.52) LTB4RAKR1B1TTRLTB4R2ALDH1A1

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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