SCHEMBL11768432

SCHEMBL11768432

CCc1cc(S(=O)(=O)Cl)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.55
▸ TTR P02766 11/20 0.54
▸ LTB4R Q15722 5/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ LTB4R2 Q9NPC1 3/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL11768925 0.92 AKR1B1 (0.52) AKR1B1TTRLTB4RHPGDKDM4E
SCHEMBL11767416 0.90 AKR1B1 (0.56) AKR1B1TTRLTB4RHPGDKDM4E
SCHEMBL11767897 0.90 AKR1B1 (0.56) AKR1B1TTRLTB4RHPGDKDM4E
SCHEMBL11768888 0.90 AKR1B1 (0.56) AKR1B1TTRLTB4RHPGDKDM4E
SCHEMBL11768452 0.89 LTB4R (0.52) AKR1B1TTRLTB4RHPGDKDM4E
SCHEMBL11771118 0.89 AKR1B1 (0.55) AKR1B1TTRLTB4RHPGDKDM4E
SCHEMBL11770398 0.87 AKR1B1 (0.53) AKR1B1TTRLTB4RHPGDKDM4E
SCHEMBL11769254 0.87 AKR1B1 (0.71) AKR1B1TTRLTB4RHPGDKDM4E
SCHEMBL11772617 0.87 AKR1B1 (0.53) AKR1B1TTRLTB4RHPGDKDM4E
SCHEMBL11767510 0.87 AKR1B1 (0.53) AKR1B1TTRLTB4RHPGDKDM4E

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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