SCHEMBL11771365

SCHEMBL11771365

CCCCSc1cc(SCCCC)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 7/20 0.50
▸ TTR P02766 10/20 0.48
▸ AKR1B1 P15121 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PTGER1 P34995 1/20 0.41
▸ PTGER3 P43115 1/20 0.41
▸ PTGER2 P43116 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PTGDR Q13258 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LTB4R2 Q9NPC1 3/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL11770946 0.97 LTB4R (0.52) LTB4RTTRAKR1B1KDM4EMEN1
SCHEMBL11772658 0.94 TTR (0.50) LTB4RTTRAKR1B1KDM4EMEN1
SCHEMBL11771326 0.87 TTR (0.52) LTB4RTTRAKR1B1KDM4EMEN1
SCHEMBL11816756 0.85 LTB4R (0.52) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL11813838 0.84 TTR (0.39) LTB4RTTRAKR1B1KDM4EMEN1
SCHEMBL11768484 0.82 KDM4E (0.47) LTB4RTTRAKR1B1KDM4EMEN1
SCHEMBL11861965 0.81 TTR (0.54) LTB4RTTRAKR1B1KDM4EMEN1
SCHEMBL11492830 0.80 LTB4R (0.47) LTB4RTTRAKR1B1KDM4EMEN1
SCHEMBL11814861 0.79 LTB4R (0.55) LTB4RTTRKDM4EMEN1ALDH1A1
SCHEMBL11808532 0.79 LTB4R (0.53) LTB4RTTRKDM4EMEN1ALDH1A1

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 8 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
US-3951618-A Method of use of, and compositions containing, disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-04-20 — — US disclosed
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