SCHEMBL11772448

SCHEMBL11772448

Cc1cc(S(=O)(=O)C(C)C)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ TP53 P04637 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ PTGER1 P34995 1/20 0.48
▸ PTGER3 P43115 1/20 0.48
▸ PTGER2 P43116 1/20 0.48
▸ PTGDR Q13258 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TTR P02766 10/20 0.48
▸ LTB4R Q15722 2/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPT P10636 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
SCHEMBL11768348 0.89 AKR1B1 (0.55) AKR1B1KDM4EALDH1A1HPGDTP53
SCHEMBL11767851 0.88 AKR1B1 (0.48) AKR1B1KDM4EALDH1A1HPGDTP53
SCHEMBL11773160 0.87 AKR1B1 (0.52) AKR1B1KDM4EALDH1A1HPGDTP53
SCHEMBL11767415 0.87 AKR1B1 (0.52) AKR1B1KDM4EALDH1A1HPGDTP53
SCHEMBL11771968 0.86 TTR (0.53) AKR1B1KDM4EALDH1A1HPGDTP53
SCHEMBL11769323 0.86 AKR1B1 (0.51) AKR1B1KDM4EALDH1A1HPGDTP53
SCHEMBL11766634 0.86 KDM4E (0.51) AKR1B1KDM4EALDH1A1HPGDTP53
SCHEMBL11772190 0.86 TTR (0.48) AKR1B1KDM4EALDH1A1HPGDTP53
SCHEMBL11770215 0.85 TTR (0.52) AKR1B1KDM4EALDH1A1HPGDTP53
SCHEMBL11769072 0.85 KDM4E (0.61) AKR1B1KDM4EALDH1A1HPGDTP53

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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