SCHEMBL11768435

SCHEMBL11768435

CCCCCCCCOc1cc(SC)c2oc3ccc(C(=O)OCC)cc3c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 3/20 0.47
▸ ACSL1 P33121 2/20 0.40
▸ ACSL6 Q9UKU0 2/20 0.40
▸ THRA P10827 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ ACAT1 P24752 1/20 0.38
▸ PLA2G2A P14555 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ TTR P02766 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36

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
SCHEMBL11770145 1.00 LTB4R (0.47) LTB4RACSL1ACSL6THRATHRB
SCHEMBL11768703 1.00 LTB4R (0.47) LTB4RACSL1ACSL6THRATHRB
SCHEMBL11767469 0.95 LTB4R (0.48) LTB4RACSL1ACSL6THRATHRB
SCHEMBL11773887 0.95 LTB4R (0.48) LTB4RACSL1ACSL6THRATHRB
SCHEMBL11768039 0.92 LTB4R (0.48) LTB4RACSL1ACSL6THRATHRB
SCHEMBL11769089 0.92 LTB4R (0.48) LTB4RACSL1ACSL6THRATHRB
SCHEMBL11767255 0.92 LTB4R (0.48) LTB4RACSL1ACSL6THRATHRB
SCHEMBL11766473 0.92 LTB4R (0.48) LTB4RACSL1ACSL6THRATHRB
SCHEMBL11768302 0.91 LTB4R (0.57) LTB4RACSL1ACSL6PLA2G2ATP53
SCHEMBL11814861 0.89 LTB4R (0.55) LTB4RACSL1ACSL6PLA2G2ATP53

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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