SCHEMBL11769427

SCHEMBL11769427

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 2/20 0.40
▸ TTR P02766 5/20 0.39
▸ MAOB P27338 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL11768147 0.93 LTB4R (0.46) LTB4RTTRALDH1A1ESR1TSHR
SCHEMBL11768555 0.92 RAB9A (0.40) LTB4RTTRMAOBALDH1A1KDM4E
SCHEMBL11768861 0.87 ALDH1A1 (0.39) LTB4RTTRALDH1A1KDM4ETSHR
SCHEMBL11770388 0.86 TTR (0.40) LTB4RTTRALDH1A1KDM4EPOLB
SCHEMBL11768189 0.84 KDM4E (0.38) LTB4RTTRALDH1A1KDM4EAKR1B1
SCHEMBL11767158 0.84 TTR (0.51) LTB4RTTRALDH1A1KDM4EAKR1B1
SCHEMBL11783558 0.84 ALDH1A1 (0.43) LTB4RTTRALDH1A1KDM4EPOLB
SCHEMBL11768196 0.83 TTR (0.50) LTB4RTTRALDH1A1KDM4EAKR1B1
SCHEMBL11771233 0.83 TTR (0.50) LTB4RTTRALDH1A1KDM4EAKR1B1
SCHEMBL11768976 0.83 TTR (0.50) LTB4RTTRALDH1A1KDM4EAKR1B1

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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