SCHEMBL11770714

SCHEMBL11770714

CCCCCCCCOc1cc([S+]([O-])CCC)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 7/20 0.58
▸ TTR P02766 3/20 0.43
▸ LTB4R2 Q9NPC1 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PTGER1 P34995 1/20 0.41
▸ PTGER3 P43115 1/20 0.41
▸ PTGER2 P43116 1/20 0.41
▸ PTGDR Q13258 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PTPN11 Q06124 1/20 0.40
▸ AKR1B1 P15121 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ KDR P35968 1/20 0.39

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
SCHEMBL11770435 0.94 LTB4R (0.51) LTB4RTTRLTB4R2ALDH1A1HPGD
SCHEMBL11769846 0.94 LTB4R (0.59) LTB4RTTRLTB4R2ALDH1A1HPGD
SCHEMBL11493293 0.93 LTB4R (0.49) LTB4RTTRLTB4R2ALDH1A1HPGD
SCHEMBL11766622 0.92 LTB4R (0.47) LTB4RTTRLTB4R2ALDH1A1HPGD
SCHEMBL11771441 0.92 LTB4R (0.61) LTB4RTTRLTB4R2ALDH1A1HPGD
SCHEMBL11769199 0.92 LTB4R (0.61) LTB4RTTRLTB4R2ALDH1A1HPGD
SCHEMBL11771348 0.92 LTB4R (0.61) LTB4RTTRLTB4R2ALDH1A1HPGD
SCHEMBL11767597 0.92 LTB4R (0.61) LTB4RTTRLTB4R2ALDH1A1HPGD
SCHEMBL11783029 0.91 LTB4R (0.59) LTB4RTTRLTB4R2ALDH1A1HPGD
SCHEMBL11768172 0.89 TTR (0.46) LTB4RTTRLTB4R2ALDH1A1HPGD

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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