SCHEMBL11768147

SCHEMBL11768147

CCCCCOC(=O)c1ccc2oc3c([S+](C)[O-])cc([S+](C)[O-])cc3c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 2/20 0.46
▸ TTR P02766 3/20 0.39
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CCNB2 O95067 3/20 0.37
▸ CDK1 P06493 3/20 0.37
▸ CCNB1 P14635 3/20 0.37
▸ MDH2 P40926 3/20 0.37
▸ CCNB3 Q8WWL7 3/20 0.37
▸ ESR1 P03372 4/20 0.36
▸ AKR1C4 P17516 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL11769427 0.93 LTB4R (0.40) LTB4RTTRMAPTNPC1RAB9A
SCHEMBL11768555 0.89 RAB9A (0.40) LTB4RTTRMAPTNPC1RAB9A
SCHEMBL11769610 0.89 LTB4R (0.47) LTB4RMAPTNPC1RAB9AALDH1A1
SCHEMBL11767569 0.89 LTB4R (0.47) LTB4RMAPTNPC1RAB9AALDH1A1
SCHEMBL11770565 0.89 LTB4R (0.53) LTB4RTTRMAPTNPC1RAB9A
SCHEMBL11769757 0.89 LTB4R (0.53) LTB4RTTRMAPTNPC1RAB9A
SCHEMBL11768861 0.85 ALDH1A1 (0.39) LTB4RTTRNPC1RAB9AALDH1A1
SCHEMBL11767805 0.84 LTB4R (0.52) LTB4RTTRNPC1RAB9A
SCHEMBL11771031 0.84 LTB4R (0.52) LTB4RTTRNPC1RAB9A
SCHEMBL11770531 0.84 LTB4R (0.52) LTB4RTTRNPC1RAB9A

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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