SCHEMBL11770185

SCHEMBL11770185

CCCc1cc([S+]([O-])CC)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 9/20 0.47
▸ LTB4R Q15722 7/20 0.45
▸ AKR1B1 P15121 1/20 0.43
▸ LTB4R2 Q9NPC1 3/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PTGER1 P34995 1/20 0.40
▸ PTGER3 P43115 1/20 0.40
▸ PTGER2 P43116 1/20 0.40
▸ PTGDR Q13258 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36

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
SCHEMBL11772971 0.93 TTR (0.47) TTRLTB4RAKR1B1LTB4R2KMT2A
SCHEMBL11771291 0.93 TTR (0.50) TTRLTB4RAKR1B1LTB4R2KMT2A
SCHEMBL11769417 0.92 LTB4R (0.51) TTRLTB4RAKR1B1LTB4R2KMT2A
SCHEMBL11772957 0.92 TTR (0.49) TTRLTB4RAKR1B1LTB4R2KMT2A
SCHEMBL11767653 0.88 TTR (0.46) TTRLTB4RAKR1B1LTB4R2KMT2A
SCHEMBL11774436 0.86 TTR (0.48) TTRLTB4RAKR1B1LTB4R2KMT2A
SCHEMBL11784947 0.86 TTR (0.50) TTRLTB4RAKR1B1LTB4R2KMT2A
SCHEMBL11767669 0.86 TTR (0.54) TTRLTB4RAKR1B1LTB4R2KMT2A
SCHEMBL11774378 0.85 LTB4R (0.50) TTRLTB4RAKR1B1LTB4R2KMT2A
SCHEMBL11767062 0.84 NPC1 (0.37) TTRLTB4RAKR1B1KMT2AKDM4E

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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