SCHEMBL11493259

SCHEMBL11493259

CS(=O)(=O)c1cc(OCCO)cc2c(=O)c3cc(C(=O)O)ccc3oc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.45
▸ LTB4R Q15722 6/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PTGER1 P34995 1/20 0.44
▸ PTGER3 P43115 1/20 0.44
▸ PTGER2 P43116 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PTGDR Q13258 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TTR P02766 8/20 0.44
▸ ACSL1 P33121 2/20 0.41
▸ ACSL6 Q9UKU0 2/20 0.41
▸ LTB4R2 Q9NPC1 3/20 0.41
▸ SIGMAR1 Q99720 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
SCHEMBL11768773 0.92 LTB4R (0.48) AKR1B1LTB4RKDM4EMEN1ALDH1A1
SCHEMBL11492240 0.91 TTR (0.46) AKR1B1LTB4RKDM4EMEN1ALDH1A1
SCHEMBL11766829 0.90 LTB4R (0.56) AKR1B1LTB4RKDM4EMEN1ALDH1A1
SCHEMBL11783285 0.90 LTB4R (0.56) AKR1B1LTB4RKDM4EMEN1ALDH1A1
SCHEMBL11767174 0.90 LTB4R (0.56) AKR1B1LTB4RKDM4EMEN1ALDH1A1
SCHEMBL11768768 0.90 LTB4R (0.56) AKR1B1LTB4RKDM4EMEN1ALDH1A1
SCHEMBL11767105 0.90 TTR (0.48) AKR1B1LTB4RKDM4EMEN1ALDH1A1
SCHEMBL11486075 0.88 LTB4R (0.46) AKR1B1LTB4RKDM4EMEN1ALDH1A1
SCHEMBL11768077 0.86 AKR1B1 (0.49) AKR1B1LTB4RKDM4EMEN1ALDH1A1
SCHEMBL11485969 0.85 TTR (0.54) AKR1B1LTB4RKDM4EMEN1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4217361-A Disubstituted xanthone-2-carboxylic acid antiallergy agents SYNTEX (U.S.A.) INC. (US) 1980-08-12 — — US disclosed
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