SCHEMBL11768753

SCHEMBL11768753

Cc1cc([S+]([O-])C(C)C)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PTGER1 P34995 1/20 0.47
▸ PTGER3 P43115 1/20 0.47
▸ PTGER2 P43116 1/20 0.47
▸ PTGDR Q13258 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TTR P02766 10/20 0.47
▸ AKR1B1 P15121 1/20 0.46
▸ LTB4R Q15722 2/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPT P10636 2/20 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
SCHEMBL11771382 0.89 KDM4E (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL11770821 0.88 KDM4E (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL11768889 0.87 TTR (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL11766645 0.87 KDM4E (0.51) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL11771974 0.86 KDM4E (0.61) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL11773580 0.86 TTR (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL11774406 0.84 TTR (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL11768842 0.84 KDM4E (0.48) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL11770978 0.84 TTR (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL11766908 0.83 KMT2A (0.47) KDM4EALDH1A1HPGDMEN1KMT2A

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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