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SCHEMBL11768274

SCHEMBL11768274

CC(C)Oc1cc([S+](C)[O-])c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ HPGD P15428 3/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ TP53 P04637 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ PTGER1 P34995 1/20 0.61
▸ PTGER3 P43115 1/20 0.61
▸ PTGER2 P43116 1/20 0.61
▸ PTGDR Q13258 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ TTR P02766 9/20 0.45
▸ AKR1B1 P15121 1/20 0.43
▸ LTB4R Q15722 4/20 0.39
▸ LTB4R2 Q9NPC1 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 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
SCHEMBL11771974 0.92 KDM4E (0.61) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL11772095 0.91 ALDH1A1 (0.49) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL11767053 0.89 KMT2A (0.58) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL11767456 0.88 KDM4E (0.47) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL11773538 0.87 KMT2A (0.56) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL11767700 0.85 TTR (0.47) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL11768675 0.84 KDM4E (0.47) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL11767433 0.84 LTB4R (0.48) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL11768660 0.84 ALDH1A1 (0.67) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL11768887 0.84 KMT2A (0.67) KDM4EALDH1A1HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3963752-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-15 — — US claimed
US-3989721-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-11-02 — — US disclosed
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-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-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-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-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
US-3963752-A Disubstituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-06-15 — — US disclosed
US-3894049-A Disubstituted xanthone carboxylic acid compounds SYNTEX INC 1975-07-08 — — US disclosed
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