SCHEMBL11768095

SCHEMBL11768095

CCCC(=O)c1cc(C(=O)CCC)c2oc3ccc(C(=O)O)cc3c(=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 9/20 0.54
▸ LTB4R Q15722 5/20 0.50
▸ AKR1B1 P15121 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ PTGER1 P34995 1/20 0.46
▸ PTGER3 P43115 1/20 0.46
▸ PTGER2 P43116 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PTGDR Q13258 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TSHR P16473 1/20 0.43
▸ LTB4R2 Q9NPC1 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ IKBKE Q14164 1/20 0.40

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
SCHEMBL11768362 0.94 LTB4R (0.52) TTRLTB4RAKR1B1KDM4EMEN1
SCHEMBL11774822 0.89 TTR (0.55) TTRLTB4RAKR1B1KDM4EMEN1
SCHEMBL11486616 0.84 LTB4R (0.50) TTRLTB4RAKR1B1KDM4EMEN1
SCHEMBL11767279 0.83 TTR (0.49) TTRLTB4RAKR1B1KDM4EMEN1
SCHEMBL11770774 0.82 TTR (0.53) TTRLTB4RAKR1B1KDM4EMEN1
SCHEMBL11766732 0.81 TTR (0.50) TTRLTB4RAKR1B1KDM4EMEN1
SCHEMBL11495186 0.81 LTB4R (0.56) TTRLTB4RAKR1B1KDM4EMEN1
SCHEMBL11868149 0.81 TTR (0.64) TTRLTB4RAKR1B1KDM4EMEN1
SCHEMBL11767363 0.81 TTR (0.52) TTRLTB4RAKR1B1KDM4EMEN1
SCHEMBL11767882 0.80 TTR (0.56) TTRLTB4RAKR1B1KDM4EMEN1

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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