SCHEMBL11769199

SCHEMBL11769199

CCCCCCCCCCCCOc1cc([S+](C)[O-])cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 7/20 0.61
▸ TTR P02766 3/20 0.45
▸ LTB4R2 Q9NPC1 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PTPN11 Q06124 1/20 0.42
▸ AKR1B1 P15121 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL11771348 1.00 LTB4R (0.61) LTB4RTTRLTB4R2ALDH1A1HPGD
SCHEMBL11771441 1.00 LTB4R (0.61) LTB4RTTRLTB4R2ALDH1A1HPGD
SCHEMBL11767597 1.00 LTB4R (0.61) LTB4RTTRLTB4R2ALDH1A1HPGD
SCHEMBL11783029 0.99 LTB4R (0.59) LTB4RTTRLTB4R2ALDH1A1HPGD
SCHEMBL11768131 0.94 LTB4R (0.53) LTB4RTTRLTB4R2ALDH1A1HPGD
SCHEMBL11774343 0.93 LTB4R (0.54) LTB4RTTRLTB4R2ALDH1A1HPGD
SCHEMBL11770406 0.93 LTB4R (0.53) LTB4RTTRLTB4R2ALDH1A1HPGD
SCHEMBL11772429 0.93 LTB4R (0.53) LTB4RTTRLTB4R2ALDH1A1HPGD
SCHEMBL11770565 0.93 LTB4R (0.53) LTB4RTTRLTB4R2ALDH1A1
SCHEMBL11769757 0.93 LTB4R (0.53) LTB4RTTRLTB4R2ALDH1A1

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 6 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
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