SCHEMBL11771001

SCHEMBL11771001

CCC[S+]([O-])c1cc(OC(C)C)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ PTGER1 P34995 1/20 0.53
▸ PTGER3 P43115 1/20 0.53
▸ PTGER2 P43116 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PTGDR Q13258 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ LTB4R Q15722 6/20 0.44
▸ TTR P02766 10/20 0.43
▸ AKR1B1 P15121 1/20 0.40
▸ LTB4R2 Q9NPC1 3/20 0.38
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ IKBKE Q14164 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34

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
SCHEMBL11766333 0.92 KDM4E (0.53) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11768172 0.89 TTR (0.46) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11766622 0.89 LTB4R (0.47) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11767432 0.88 KDM4E (0.56) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11770435 0.88 LTB4R (0.51) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11767104 0.86 KDM4E (0.54) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11770714 0.86 LTB4R (0.58) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11493293 0.86 LTB4R (0.49) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11768958 0.85 KDM4E (0.46) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11768661 0.84 TTR (0.55) 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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