SCHEMBL11770210

SCHEMBL11770210

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 3/20 0.51
▸ STS P08842 6/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ AKR1B1 P15121 1/20 0.39
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ AKR1C4 P17516 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38

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
SCHEMBL11770659 1.00 LTB4R (0.51) LTB4RSTSNPC1MAPTRAB9A
SCHEMBL11769092 0.95 LTB4R (0.51) LTB4RSTSNPC1MAPTRAB9A
SCHEMBL11767836 0.95 LTB4R (0.51) LTB4RSTSNPC1MAPTRAB9A
SCHEMBL11768257 0.95 LTB4R (0.51) LTB4RSTSNPC1MAPTRAB9A
SCHEMBL11769034 0.93 LTB4R (0.51) LTB4RAKR1B1THRATHRB
SCHEMBL11766984 0.93 LTB4R (0.51) LTB4RAKR1B1THRATHRB
SCHEMBL11785790 0.93 LTB4R (0.51) LTB4RAKR1B1THRATHRB
SCHEMBL11771871 0.93 LTB4R (0.51) LTB4RAKR1B1THRATHRB
SCHEMBL11789694 0.92 LTB4R (0.61) LTB4RALDH1A1AKR1B1
SCHEMBL11774344 0.92 LTB4R (0.61) LTB4RALDH1A1AKR1B1

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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