SCHEMBL11376347

SCHEMBL11376347

O=C(O)c1ccc2oc3ccc(S)cc3c(=O)c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 11/20 0.69
AKR1B1 P15121 1/20 0.57
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
PTGER1 P34995 1/20 0.56
PTGER3 P43115 1/20 0.56
PTGER2 P43116 1/20 0.56
KMT2A Q03164 1/20 0.56
PTGDR Q13258 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
LTB4R Q15722 1/20 0.45
STS P08842 1/20 0.44
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL11866781 0.92 TTR (0.68) TTRAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL68189 0.90 TTR (0.83) TTRAKR1B1KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL11749391 0.88 TTR (0.81) TTRAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL11770172 0.84 TTR (0.57) TTRAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL11322640 0.83 TTR (0.80) TTRAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL1787556 0.82 TTR (1.00) TTRAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL21313809 0.82 TTR (0.71) TTRAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL11883817 0.82 NPC1 (0.74) TTRAKR1B1KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL11367851 0.81 TTR (0.97) TTRAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL11768650 0.81 TTR (0.69) TTRAKR1B1KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4250097-A (7-METHYL(2-HYDROXYETHYL)AMINO)SULFONYLXANTHONE-2-CARBOXYLIC ACID; ENZYME INHIBITORS SYNTEX (U.S.A.) INC. (US) 1981-02-10 US disclosed
US-4232040-A XANTHONE CARBOXYLIC ACIDS SYNTEX (U.S.A.) INC. (US) 1980-11-04 US disclosed