SCHEMBL11769034

SCHEMBL11769034

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 6/20 0.51
▸ AKR1B1 P15121 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ SMPD1 P17405 4/20 0.38
▸ LTB4R2 Q9NPC1 2/20 0.38
▸ PGAM1 P18669 1/20 0.37
▸ TTR P02766 1/20 0.36
▸ S1PR1 P21453 2/20 0.36
▸ S1PR3 Q99500 2/20 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
SCHEMBL11785790 1.00 LTB4R (0.51) LTB4RAKR1B1MAOAMAOBTHRA
SCHEMBL11766984 1.00 LTB4R (0.51) LTB4RAKR1B1MAOAMAOBTHRA
SCHEMBL11771871 1.00 LTB4R (0.51) LTB4RAKR1B1MAOAMAOBTHRA
SCHEMBL11770659 0.93 LTB4R (0.51) LTB4RAKR1B1THRATHRB
SCHEMBL11770210 0.93 LTB4R (0.51) LTB4RAKR1B1THRATHRB
SCHEMBL11769092 0.92 LTB4R (0.51) LTB4RAKR1B1THRATHRBLTB4R2
SCHEMBL11768257 0.92 LTB4R (0.51) LTB4RAKR1B1THRATHRBLTB4R2
SCHEMBL11767836 0.92 LTB4R (0.51) LTB4RAKR1B1THRATHRBLTB4R2
SCHEMBL11765899 0.92 LTB4R (0.61) LTB4RAKR1B1LTB4R2TTRS1PR3
SCHEMBL11766632 0.92 LTB4R (0.61) LTB4RAKR1B1LTB4R2TTRS1PR3

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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