SCHEMBL11769339

SCHEMBL11769339

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TNKS O95271 1/20 0.41
▸ HSD17B2 P37059 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL11812931 0.89 RAB9A (0.41) CA12CA1CA2CA7CA9
SCHEMBL11767482 0.89 LTB4R (0.45) RAB9ANPC1ALDH1A1MAPK1TTR
SCHEMBL11767561 0.88 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL11767392 0.84 TTR (0.52) RAB9ANPC1ALDH1A1HPGDHSD17B10
SCHEMBL11770156 0.83 MEN1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL11771151 0.82 LTB4R (0.51) RAB9ANPC1RXFP1TNKSTTR
SCHEMBL11768877 0.82 LTB4R (0.51) RAB9ANPC1RXFP1TNKSTTR
SCHEMBL11769105 0.82 LTB4R (0.51) RAB9ANPC1RXFP1TNKSTTR
SCHEMBL6243639 0.81 TTR (0.45) CA12CA1CA2CA7CA9
SCHEMBL11814488 0.81 MAOB (0.40) RAB9ANPC1RXFP1ALDH1A1HPGD

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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