SCHEMBL11767561

SCHEMBL11767561

COC(=O)c1ccc2oc3c(O)cc(SC)cc3c(=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ XDH P47989 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL11766614 0.88 NPC1 (0.40) CA12CA1CA2CA7XDH
SCHEMBL11769339 0.88 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL11767392 0.87 TTR (0.52) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL11769033 0.85 ESR1 (0.44) CA12CA1CA2CA7XDH
SCHEMBL11767482 0.83 LTB4R (0.45) ALDH1A1MAPTSMN1; SMN2LMNANPC1
SCHEMBL11769402 0.81 ESR1 (0.41) CA12CA1CA2CA7XDH
SCHEMBL11767463 0.80 LTB4R (0.52) NPC1RAB9ATTRRXFP1
SCHEMBL11774766 0.80 LTB4R (0.52) NPC1RAB9ATTRRXFP1
SCHEMBL11766508 0.80 LTB4R (0.52) NPC1RAB9ATTRRXFP1
SCHEMBL11766696 0.80 LTB4R (0.52) NPC1RAB9ATTRRXFP1

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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