SCHEMBL11770091

SCHEMBL11770091

CCCCCCCCOc1cc(S(=O)(=O)C(C)C)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 7/20 0.58
▸ AKR1B1 P15121 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ PTGER1 P34995 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ PTGER2 P43116 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TTR P02766 3/20 0.43
▸ LTB4R2 Q9NPC1 3/20 0.43
▸ S1PR3 Q99500 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ TSHR P16473 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
SCHEMBL11771883 0.94 LTB4R (0.51) LTB4RAKR1B1ALDH1A1HPGDTP53
SCHEMBL11770426 0.91 AKR1B1 (0.49) LTB4RAKR1B1ALDH1A1HPGDTP53
SCHEMBL11766632 0.90 LTB4R (0.61) LTB4RAKR1B1ALDH1A1HPGDTP53
SCHEMBL11765833 0.90 LTB4R (0.61) LTB4RAKR1B1ALDH1A1HPGDTP53
SCHEMBL11774344 0.90 LTB4R (0.61) LTB4RAKR1B1ALDH1A1HPGDTP53
SCHEMBL11789694 0.90 LTB4R (0.61) LTB4RAKR1B1ALDH1A1HPGDTP53
SCHEMBL11765899 0.90 LTB4R (0.61) LTB4RAKR1B1ALDH1A1HPGDTP53
SCHEMBL11772327 0.90 LTB4R (0.61) LTB4RAKR1B1ALDH1A1HPGDTP53
SCHEMBL11769474 0.89 LTB4R (0.60) LTB4RAKR1B1ALDH1A1HPGDTP53
SCHEMBL11767398 0.89 LTB4R (0.60) LTB4RAKR1B1ALDH1A1HPGDTP53

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
Send feedback