SCHEMBL11767090

SCHEMBL11767090

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 5/20 0.58
▸ LTB4R2 Q9NPC1 1/20 0.49
▸ TP53 P04637 2/20 0.48
▸ PLA2G2A P14555 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PLA2G4B P0C869 3/20 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
▸ KMT2A Q03164 1/20 0.47
▸ PTGDR Q13258 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PTPN11 Q06124 1/20 0.47
▸ TTR P02766 1/20 0.47
▸ RARB P10826 3/20 0.46

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
SCHEMBL11768811 0.94 LTB4R (0.50) LTB4RLTB4R2TP53KDM4EMEN1
SCHEMBL11767118 0.91 LTB4R (0.57) LTB4RTP53PLA2G2ATSHRPLA2G4B
SCHEMBL11492234 0.90 KDM4E (0.48) LTB4RLTB4R2TP53KDM4EMEN1
SCHEMBL11767979 0.89 TTR (0.50) LTB4RLTB4R2TP53KDM4EMEN1
SCHEMBL11767401 0.86 LTB4R (0.58) LTB4RTP53PLA2G2ATSHRPLA2G4B
SCHEMBL11768290 0.86 LTB4R (0.63) LTB4RLTB4R2TP53PLA2G2ATSHR
SCHEMBL11768302 0.85 LTB4R (0.57) LTB4RTP53PLA2G2ATSHRPLA2G4B
SCHEMBL11772100 0.84 LTB4R (0.49) LTB4RLTB4R2TP53KDM4EMEN1
SCHEMBL11769175 0.84 LTB4R (0.54) LTB4RLTB4R2TP53KDM4EMEN1
SCHEMBL11769078 0.84 LTB4R (0.56) LTB4RTP53PLA2G2ATSHRPLA2G4B

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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