SCHEMBL11769340

SCHEMBL11769340

CNS(=O)(=O)c1cc(C(C)C)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ PTGER1 P34995 1/20 0.46
▸ PTGER3 P43115 1/20 0.46
▸ PTGER2 P43116 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PTGDR Q13258 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TTR P02766 10/20 0.46
▸ PFKFB3 Q16875 1/20 0.44
▸ TBK1 Q9UHD2 4/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ABCC4 O15439 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL11767170 0.88 AKR1B1 (0.49) AKR1B1KDM4EMEN1ALDH1A1TP53
SCHEMBL11768527 0.88 AKR1B1 (0.49) AKR1B1KDM4EMEN1ALDH1A1TP53
SCHEMBL11767851 0.87 AKR1B1 (0.48) AKR1B1KDM4EMEN1ALDH1A1TP53
SCHEMBL11767648 0.87 TTR (0.50) AKR1B1KDM4EMEN1ALDH1A1TP53
SCHEMBL11767570 0.87 AKR1B1 (0.48) AKR1B1KDM4EMEN1ALDH1A1TP53
SCHEMBL11771193 0.86 TTR (0.49) AKR1B1KDM4EMEN1ALDH1A1TP53
SCHEMBL11771852 0.86 AKR1B1 (0.49) AKR1B1KDM4EMEN1ALDH1A1TP53
SCHEMBL11765682 0.86 AKR1B1 (0.55) AKR1B1KDM4EMEN1ALDH1A1TP53
SCHEMBL11767916 0.85 AKR1B1 (0.60) AKR1B1KDM4EMEN1ALDH1A1TP53
SCHEMBL11766341 0.85 KMT2A (0.59) 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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