SCHEMBL11770565

SCHEMBL11770565

CCCCCCCCOc1cc([S+](C)[O-])cc2c(=O)c3cc(C(=O)OCCCCC)ccc3oc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 5/20 0.53
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LTB4R2 Q9NPC1 2/20 0.39
▸ TTR P02766 1/20 0.38
▸ CCNB2 O95067 2/20 0.38
▸ CDK1 P06493 2/20 0.38
▸ CCNB1 P14635 2/20 0.38
▸ MDH2 P40926 2/20 0.38
▸ CCNB3 Q8WWL7 2/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ AKR1C4 P17516 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ AKR1C1 Q04828 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
SCHEMBL11769757 1.00 LTB4R (0.53) LTB4RNPC1MAPTRAB9AALDH1A1
SCHEMBL11767805 0.95 LTB4R (0.52) LTB4RNPC1RAB9ALTB4R2TTR
SCHEMBL11770531 0.95 LTB4R (0.52) LTB4RNPC1RAB9ALTB4R2TTR
SCHEMBL11771031 0.95 LTB4R (0.52) LTB4RNPC1RAB9ALTB4R2TTR
SCHEMBL11769318 0.93 LTB4R (0.53) LTB4RALDH1A1LTB4R2TTR
SCHEMBL11767263 0.93 LTB4R (0.53) LTB4RALDH1A1LTB4R2TTR
SCHEMBL11770406 0.93 LTB4R (0.53) LTB4RALDH1A1LTB4R2TTR
SCHEMBL11772429 0.93 LTB4R (0.53) LTB4RALDH1A1LTB4R2TTR
SCHEMBL11771441 0.93 LTB4R (0.61) LTB4RALDH1A1LTB4R2TTR
SCHEMBL11767597 0.93 LTB4R (0.61) LTB4RALDH1A1LTB4R2TTR

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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