SCHEMBL8580217

SCHEMBL8580217

CCC(CC(=O)O)SCc1ccco1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
GAA P10253 3/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 3/20 0.39
APEX1 P27695 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MIF P14174 1/20 0.39
HPGD P15428 3/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL10528046 0.79 TSHR (0.46) ALDH1A1GAATSHRMAPTHSD17B10
SCHEMBL28568509 0.79 POLB (0.58) ALDH1A1GAATSHRMAPTHSD17B10
SCHEMBL27878876 0.76 CYP2C19 (0.46) ALDH1A1POLBL3MBTL1SMN1; SMN2
SCHEMBL7590034 0.76 ALDH1A1 (0.45) ALDH1A1GAATSHRMAPTHSD17B10
SCHEMBL1641497 0.75 TSHR (0.48) ALDH1A1GAATSHRMAPTHSD17B10
Malic Acid SCHEMBL11649553 0.74 SLC1A3 (0.41) ALDH1A1GAATSHRMAPTHSD17B10
SCHEMBL7592515 0.73 TSHR (0.42) ALDH1A1GAATSHRMAPTHSD17B10
SCHEMBL3504630 0.73 ALDH1A1 (0.45) ALDH1A1GAATSHRMAPTHSD17B10
SCHEMBL10999333 0.72 ALDH1A1 (0.44) ALDH1A1GAATSHRMAPTHSD17B10
SCHEMBL7589709 0.72 ALDH1A1 (0.47) ALDH1A1GAATSHRMAPTHSD17B10

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-5800897-A Air freshener composition containing a fiber pad EASTMAN CHEMICAL COMPANY (US) 1998-09-01 US disclosed