SCHEMBL11772802

SCHEMBL11772802

CCS(=O)(=O)c1cc(OC(C)C)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ PTGER1 P34995 1/20 0.54
▸ PTGER3 P43115 1/20 0.54
▸ PTGER2 P43116 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ PTGDR Q13258 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ AKR1B1 P15121 1/20 0.50
▸ TTR P02766 9/20 0.47
▸ LTB4R Q15722 6/20 0.44
▸ LTB4R2 Q9NPC1 3/20 0.40
▸ ADORA3 P0DMS8 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL11767048 0.93 KDM4E (0.52) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11770535 0.90 KDM4E (0.56) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11771792 0.90 KDM4E (0.56) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11770074 0.89 KDM4E (0.55) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11767638 0.89 KDM4E (0.55) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11771074 0.89 KDM4E (0.55) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11769840 0.89 AKR1B1 (0.53) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11766582 0.88 AKR1B1 (0.52) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11768922 0.87 KDM4E (0.53) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11769046 0.87 AKR1B1 (0.66) KDM4EMEN1ALDH1A1TP53CYP2C9

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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