SCHEMBL7589709

SCHEMBL7589709

CC(=O)C(C)SCc1ccco1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.47
TSHR P16473 2/20 0.44
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 6/20 0.41
HSD17B10 Q99714 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 5/20 0.41
POLB P06746 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALOX12 P18054 1/20 0.40
ALOX5 P09917 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL7591418 0.89 ALDH1A1 (0.39) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL1641497 0.87 TSHR (0.48) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL25385023 0.85 ALDH1A1 (0.46) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL7592515 0.84 TSHR (0.42) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL14861563 0.83 ALDH1A1 (0.53) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL25384147 0.81 ALDH1A1 (0.43) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL7590034 0.81 ALDH1A1 (0.45) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL3504630 0.81 ALDH1A1 (0.45) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL7589787 0.80 ALDH1A1 (0.37) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
Hydrogen Sulfide SCHEMBL28235736 0.78 ALDH1A1 (0.43) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811618-B1 Furfurylthioalkanes, process for their preparation and use thereof HAARMANN & REIMER GMBH (DE) 2002-10-23 EP disclosed
US-6153770-A ORGANOLEPTIC COMPOUNDS FOR FOOD AROMAS HAARMANN & REIMER (DE) 2000-11-28 US disclosed
EP-0811618-A1 Furfurylthioalkanes, process for their preparation and use thereof HAARMANN & REIMER GMBH (DE) 1997-12-10 EP disclosed