SCHEMBL11769780

SCHEMBL11769780

Cc1cc(S(C)(=O)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 10/20 0.58
▸ AKR1B1 P15121 1/20 0.58
▸ TP53 P04637 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 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
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LTB4R Q15722 2/20 0.41
▸ IKBKE Q14164 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL11767302 0.90 TTR (0.58) TTRAKR1B1TP53KDM4EMEN1
SCHEMBL11773153 0.89 TTR (0.57) TTRAKR1B1TP53KDM4EMEN1
SCHEMBL11770481 0.89 TTR (0.57) TTRAKR1B1TP53KDM4EMEN1
SCHEMBL11771304 0.88 TTR (0.56) TTRAKR1B1TP53KDM4EMEN1
SCHEMBL11768472 0.88 AKR1B1 (0.58) TTRAKR1B1TP53KDM4EMEN1
SCHEMBL11769255 0.87 TTR (0.55) TTRAKR1B1TP53KDM4EMEN1
SCHEMBL11773110 0.87 AKR1B1 (0.74) TTRAKR1B1TP53KDM4EMEN1
SCHEMBL11769014 0.87 TTR (0.55) TTRAKR1B1TP53KDM4EMEN1
SCHEMBL11767897 0.86 AKR1B1 (0.56) TTRAKR1B1TP53KDM4EMEN1
SCHEMBL11768032 0.85 TTR (0.53) TTRAKR1B1TP53KDM4EMEN1

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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