SCHEMBL11769568

SCHEMBL11769568

CCCOc1cc(C)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 6/20 0.54
▸ LTB4R Q15722 5/20 0.52
▸ KMT2A Q03164 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 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
▸ PTGDR Q13258 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ACSL1 P33121 2/20 0.44
▸ ACSL6 Q9UKU0 2/20 0.44
▸ AKR1B1 P15121 1/20 0.43
▸ LTB4R2 Q9NPC1 2/20 0.42
▸ PLA2G2A P14555 1/20 0.40
▸ TSHR P16473 1/20 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
SCHEMBL11767401 0.94 LTB4R (0.58) TTRLTB4RKMT2ATP53KDM4E
SCHEMBL11769078 0.94 LTB4R (0.56) TTRLTB4RKMT2ATP53KDM4E
SCHEMBL11485969 0.91 TTR (0.54) TTRLTB4RKMT2ATP53KDM4E
SCHEMBL11768031 0.91 TTR (0.56) TTRLTB4RKMT2ATP53KDM4E
SCHEMBL11770128 0.89 TTR (0.52) TTRLTB4RKMT2ATP53KDM4E
SCHEMBL11768898 0.89 LTB4R (0.56) TTRLTB4RKMT2ATP53KDM4E
SCHEMBL11768811 0.87 LTB4R (0.50) TTRLTB4RKMT2ATP53KDM4E
SCHEMBL11771221 0.87 TTR (0.54) TTRLTB4RKMT2ATP53KDM4E
SCHEMBL11772872 0.86 LTB4R (0.49) TTRLTB4RKMT2ATP53KDM4E
SCHEMBL11772100 0.86 LTB4R (0.49) TTRLTB4RKMT2ATP53KDM4E

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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