SCHEMBL11768144

SCHEMBL11768144

CCCCCCCCOc1cc([S+]([O-])C(C)C)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 7/20 0.57
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PTGER1 P34995 1/20 0.42
▸ PTGER3 P43115 1/20 0.42
▸ PTGER2 P43116 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PTGDR Q13258 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ LTB4R2 Q9NPC1 3/20 0.42
▸ TTR P02766 3/20 0.42
▸ PTPN11 Q06124 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ TSHR P16473 1/20 0.38

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
SCHEMBL11769288 0.94 LTB4R (0.50) LTB4RALDH1A1HPGDTP53KDM4E
SCHEMBL11770783 0.91 KDM4E (0.45) LTB4RALDH1A1HPGDTP53KDM4E
SCHEMBL11769199 0.91 LTB4R (0.61) LTB4RALDH1A1HPGDTP53LTB4R2
SCHEMBL11771348 0.91 LTB4R (0.61) LTB4RALDH1A1HPGDTP53LTB4R2
SCHEMBL11771441 0.91 LTB4R (0.61) LTB4RALDH1A1HPGDTP53LTB4R2
SCHEMBL11767597 0.91 LTB4R (0.61) LTB4RALDH1A1HPGDTP53LTB4R2
SCHEMBL11783029 0.90 LTB4R (0.59) LTB4RALDH1A1HPGDTP53KDM4E
SCHEMBL11769846 0.89 LTB4R (0.59) LTB4RALDH1A1HPGDTP53LTB4R2
SCHEMBL11770714 0.88 LTB4R (0.58) LTB4RALDH1A1HPGDTP53KDM4E
SCHEMBL11771395 0.86 LTB4R (0.49) LTB4RALDH1A1HPGDTP53KDM4E

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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