SCHEMBL11774378

SCHEMBL11774378

CCCCCCCCc1cc([S+]([O-])CCC)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 5/20 0.50
▸ TTR P02766 7/20 0.43
▸ AKR1B1 P15121 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ PTGER3 P43115 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ PTGDR Q13258 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LTB4R2 Q9NPC1 2/20 0.38
▸ RARB P10826 4/20 0.37
▸ RARA P10276 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MTOR P42345 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
SCHEMBL11769417 0.93 LTB4R (0.51) LTB4RTTRAKR1B1MEN1ALDH1A1
SCHEMBL11772971 0.92 TTR (0.47) LTB4RTTRAKR1B1MEN1ALDH1A1
SCHEMBL11780912 0.91 LTB4R (0.52) LTB4RTTRAKR1B1MEN1ALDH1A1
SCHEMBL11774436 0.90 TTR (0.48) LTB4RTTRAKR1B1MEN1ALDH1A1
SCHEMBL11771395 0.88 LTB4R (0.49) LTB4RTTRAKR1B1MEN1ALDH1A1
SCHEMBL11770714 0.86 LTB4R (0.58) LTB4RTTRAKR1B1MEN1ALDH1A1
SCHEMBL11770185 0.85 TTR (0.47) LTB4RTTRAKR1B1MEN1ALDH1A1
SCHEMBL11768661 0.84 TTR (0.55) LTB4RTTRAKR1B1MEN1ALDH1A1
SCHEMBL11767751 0.84 TTR (0.48) LTB4RTTRAKR1B1MEN1ALDH1A1
SCHEMBL11771256 0.84 LTB4R (0.54) LTB4RTTRAKR1B1MEN1ALDH1A1

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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