SCHEMBL11770514

SCHEMBL11770514

COc1cc(S(=O)(=O)N(C)C)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.70
▸ TTR P02766 7/20 0.46
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KMT2A Q03164 2/20 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
▸ PTGDR Q13258 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ LTB4R Q15722 3/20 0.41
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 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
SCHEMBL11769850 0.89 AKR1B1 (0.66) AKR1B1TTRKDM4EALDH1A1MEN1
SCHEMBL11769046 0.89 AKR1B1 (0.66) AKR1B1TTRKDM4EALDH1A1MEN1
SCHEMBL11771021 0.88 AKR1B1 (0.55) AKR1B1TTRKDM4EALDH1A1MEN1
SCHEMBL11775903 0.88 AKR1B1 (0.55) AKR1B1TTRKDM4EALDH1A1MEN1
SCHEMBL11770506 0.87 AKR1B1 (0.64) AKR1B1TTRKDM4EALDH1A1MEN1
SCHEMBL11768826 0.87 AKR1B1 (0.54) AKR1B1TTRKDM4EALDH1A1MEN1
SCHEMBL11767533 0.87 AKR1B1 (0.54) AKR1B1TTRKDM4EALDH1A1MEN1
SCHEMBL11769840 0.86 AKR1B1 (0.53) AKR1B1TTRKDM4EALDH1A1MEN1
SCHEMBL11773110 0.86 AKR1B1 (0.74) AKR1B1TTRKDM4EALDH1A1MEN1
SCHEMBL11768007 0.86 AKR1B1 (0.74) AKR1B1TTRKDM4EALDH1A1MEN1

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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