SCHEMBL11770827

SCHEMBL11770827

CC(C)NS(=O)(=O)c1cc(S(=O)(=O)NC(C)C)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PTGER1 P34995 1/20 0.47
▸ PTGER3 P43115 1/20 0.47
▸ PTGER2 P43116 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PTGDR Q13258 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TTR P02766 8/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PTPN11 Q06124 3/20 0.42
▸ PTPN1 P18031 2/20 0.42
▸ PTPN6 P29350 2/20 0.42
▸ MMP12 P39900 2/20 0.40
▸ MMP13 P45452 2/20 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
SCHEMBL11765682 0.87 AKR1B1 (0.55) AKR1B1KDM4EMEN1ALDH1A1TP53
SCHEMBL11775648 0.85 AKR1B1 (0.53) AKR1B1KDM4EMEN1ALDH1A1TP53
SCHEMBL11772231 0.83 AKR1B1 (0.51) AKR1B1KDM4EMEN1ALDH1A1TP53
SCHEMBL11768348 0.82 AKR1B1 (0.55) AKR1B1KDM4EMEN1ALDH1A1TP53
SCHEMBL11774261 0.82 AKR1B1 (0.52) AKR1B1KDM4EMEN1ALDH1A1TP53
SCHEMBL11767096 0.81 AKR1B1 (0.56) AKR1B1KDM4EMEN1ALDH1A1TP53
SCHEMBL11864976 0.81 KDM4E (0.61) AKR1B1KDM4EMEN1ALDH1A1TP53
SCHEMBL11768472 0.81 AKR1B1 (0.58) AKR1B1KDM4EMEN1ALDH1A1TP53
SCHEMBL11767892 0.80 AKR1B1 (0.58) AKR1B1KDM4EMEN1ALDH1A1TP53
SCHEMBL11767745 0.80 AKR1B1 (0.52) AKR1B1KDM4EMEN1ALDH1A1TP53

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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