SCHEMBL11766498

SCHEMBL11766498

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 3/20 0.47
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ THRA P10827 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ ACSL1 P33121 2/20 0.40
▸ ACSL6 Q9UKU0 2/20 0.40
▸ PLA2G4A P47712 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ PLA2G2A P14555 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ CHRM1 P11229 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
SCHEMBL11772354 1.00 LTB4R (0.47) LTB4RMAOAMAOBTHRATHRB
SCHEMBL11767527 1.00 LTB4R (0.47) LTB4RMAOAMAOBTHRATHRB
SCHEMBL11768821 1.00 LTB4R (0.47) LTB4RMAOAMAOBTHRATHRB
SCHEMBL11769215 0.93 LTB4R (0.47) LTB4RTHRATHRBACSL1ACSL6
SCHEMBL11769309 0.93 LTB4R (0.47) LTB4RTHRATHRBACSL1ACSL6
SCHEMBL11770534 0.92 LTB4R (0.47) LTB4RMAOAMAOBTHRATHRB
SCHEMBL11768072 0.92 LTB4R (0.47) LTB4RMAOAMAOBTHRATHRB
SCHEMBL11770985 0.92 LTB4R (0.47) LTB4RMAOAMAOBTHRATHRB
SCHEMBL11767174 0.92 LTB4R (0.56) LTB4RACSL1ACSL6PLA2G4APLA2G2A
SCHEMBL11768768 0.92 LTB4R (0.56) LTB4RACSL1ACSL6PLA2G4APLA2G2A

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
Send feedback