SCHEMBL9724440

SCHEMBL9724440

COc1ccc(CC(=O)O)cc1SC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.64
TSHR P16473 2/20 0.59
NFKB1 P19838 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 2/20 0.59
CA5A P35218 1/20 0.56
PTGS1 P23219 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 3/20 0.47
SELL P14151 1/20 0.47
SELP P16109 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
STAT3 P40763 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LDHA P00338 1/20 0.44
LMNA P02545 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 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
SCHEMBL9548003 0.87 GAA (0.47) GAATSHRNFKB1TDP1ALDH1A1
SCHEMBL9724381 0.86 GAA (0.46) GAATSHRNFKB1TDP1ALDH1A1
SCHEMBL153055 0.81 GAA (0.74) GAATSHRNFKB1TDP1ALDH1A1
SCHEMBL30049382 0.81 GAA (0.74) GAATSHRNFKB1TDP1ALDH1A1
SCHEMBL21076208 0.80 GAA (0.72) GAATSHRNFKB1TDP1ALDH1A1
Hydrochloric Acid SCHEMBL2530820 0.80 GAA (0.72) GAATSHRNFKB1TDP1ALDH1A1
SCHEMBL27952523 0.80 GAA (0.72) GAATSHRNFKB1TDP1ALDH1A1
SCHEMBL21328344 0.78 GAA (0.70) GAATSHRNFKB1TDP1ALDH1A1
SCHEMBL21328360 0.78 GAA (0.70) GAATSHRNFKB1TDP1ALDH1A1
SCHEMBL347877 0.78 GAA (1.00) GAATSHRNFKB1TDP1ALDH1A1

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-5158948-A Treating neurological and psychological disorders ABBOTT LABORATORIES (US) 1992-10-27 US disclosed