SCHEMBL11765852

SCHEMBL11765852

CCOC(=O)c1ccc2oc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c(=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TNKS O95271 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HPGD P15428 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PARG Q86W56 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TTR P02766 1/20 0.38

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
SCHEMBL11770340 0.88 AKR1B1 (0.44) MEN1KMT2AAKR1B1ALDH1A1NPC1
SCHEMBL11768158 0.83 AKR1B1 (0.56) MEN1KMT2AAKR1B1ALDH1A1NPC1
SCHEMBL11770474 0.83 AKR1B1 (0.56) MEN1KMT2AAKR1B1ALDH1A1NPC1
SCHEMBL11858377 0.81 HPGD (0.48) MEN1KMT2AAKR1B1ALDH1A1NPC1
SCHEMBL11767543 0.78 STS (0.41) MEN1KMT2AAKR1B1ALDH1A1NPC1
SCHEMBL11767252 0.77 TTR (0.51) MEN1KMT2AAKR1B1ALDH1A1NPC1
SCHEMBL11765578 0.77 ALDH1A1 (0.47) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL11767528 0.77 TTR (0.48) MEN1KMT2AAKR1B1ALDH1A1HPGD
SCHEMBL11767628 0.77 AKR1B1 (0.52) MEN1KMT2AAKR1B1ALDH1A1HPGD
SCHEMBL11788334 0.77 TTR (0.48) MEN1KMT2AAKR1B1ALDH1A1NPC1

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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