SCHEMBL11769209

SCHEMBL11769209

CC(C)CCOc1cc(OCCC(C)C)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ PTGER1 P34995 1/20 0.50
▸ PTGER3 P43115 1/20 0.50
▸ PTGER2 P43116 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PTGDR Q13258 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ LTB4R Q15722 6/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TTR P02766 4/20 0.45
▸ LTB4R2 Q9NPC1 3/20 0.44
▸ NR1H4 Q96RI1 2/20 0.43
▸ RARB P10826 1/20 0.42
▸ ACSL1 P33121 2/20 0.42
▸ ACSL6 Q9UKU0 2/20 0.42

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
SCHEMBL11770128 0.91 TTR (0.52) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11768898 0.88 LTB4R (0.56) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11768290 0.87 LTB4R (0.63) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11766422 0.87 LTB4R (0.61) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11768779 0.87 KDM4E (0.52) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11768343 0.87 LTB4R (0.47) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11812316 0.87 KDM4E (0.47) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11767523 0.86 LTB4R (0.47) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11768716 0.84 TTR (0.52) KDM4EMEN1ALDH1A1TP53CYP2C9
SCHEMBL11767299 0.81 TTR (0.49) 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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