SCHEMBL11783558

SCHEMBL11783558

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TTR P02766 6/20 0.38
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA14 Q9ULX7 2/20 0.37
▸ AKR1B1 P15121 2/20 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
SCHEMBL11768189 0.90 KDM4E (0.38) ALDH1A1MEN1KMT2AKDM4ECYP2C9
SCHEMBL11770388 0.88 TTR (0.40) ALDH1A1MEN1KMT2AKDM4ECYP2C9
SCHEMBL11768861 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AKDM4ECYP2C9
SCHEMBL11767158 0.86 TTR (0.51) ALDH1A1MEN1KMT2AKDM4ECYP2C9
SCHEMBL11768555 0.85 RAB9A (0.40) ALDH1A1MEN1KMT2AKDM4ECYP2C9
SCHEMBL11768976 0.85 TTR (0.50) ALDH1A1MEN1KMT2AKDM4ECYP2C9
SCHEMBL11771233 0.85 TTR (0.50) ALDH1A1MEN1KMT2AKDM4ECYP2C9
SCHEMBL11768196 0.85 TTR (0.50) ALDH1A1MEN1KMT2AKDM4ECYP2C9
SCHEMBL11770436 0.85 TTR (0.50) ALDH1A1MEN1KMT2AKDM4ECYP2C9
SCHEMBL11769427 0.84 LTB4R (0.40) ALDH1A1MEN1KMT2AKDM4ECYP2C9

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 6 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-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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