SCHEMBL11770534

SCHEMBL11770534

CCCCCCOc1cc(S(C)(=O)=O)c2oc3ccc(C(=O)OCC)cc3c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 3/20 0.47
▸ THRA P10827 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ ACSL1 P33121 2/20 0.39
▸ ACSL6 Q9UKU0 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ STS P08842 6/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ RXFP1 Q9HBX9 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
SCHEMBL11770985 1.00 LTB4R (0.47) LTB4RTHRATHRBACSL1ACSL6
SCHEMBL11768072 1.00 LTB4R (0.47) LTB4RTHRATHRBACSL1ACSL6
SCHEMBL11769215 0.95 LTB4R (0.47) LTB4RTHRATHRBACSL1ACSL6
SCHEMBL11769309 0.95 LTB4R (0.47) LTB4RTHRATHRBACSL1ACSL6
SCHEMBL11768821 0.92 LTB4R (0.47) LTB4RTHRATHRBACSL1ACSL6
SCHEMBL11766498 0.92 LTB4R (0.47) LTB4RTHRATHRBACSL1ACSL6
SCHEMBL11767527 0.92 LTB4R (0.47) LTB4RTHRATHRBACSL1ACSL6
SCHEMBL11772354 0.92 LTB4R (0.47) LTB4RTHRATHRBACSL1ACSL6
SCHEMBL11767174 0.91 LTB4R (0.56) LTB4RACSL1ACSL6HPGDALDH1A1
SCHEMBL11768768 0.91 LTB4R (0.56) LTB4RACSL1ACSL6HPGDALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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