SCHEMBL9983159

SCHEMBL9983159

CC(=CCCSCCO)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
ICMT O60725 1/20 0.37
CD81 P60033 2/20 0.35
PPARG P37231 1/20 0.31
PTGS1 P23219 1/20 0.31
TSHR P16473 1/20 0.30
BACE1 P56817 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9407669 0.92 CD81 (0.39) TDP1CD81PPARGPTGS1TSHR
SCHEMBL22528431 0.90 CD81 (0.38) TDP1CD81PPARGPTGS1TSHR
SCHEMBL28569115 0.82 CD81 (0.37) CD81PPARGPTGS1
SCHEMBL2523050 0.82 TSHR (0.42) CD81PPARGPTGS1TSHRBACE1
SCHEMBL4276702 0.82 TSHR (0.42) CD81PPARGPTGS1TSHRBACE1
Thiodiglycol SCHEMBL28020229 0.81 TDP1 (0.46) TDP1ICMTPTGS1TSHRLMNA
SCHEMBL9571096 0.80 CD81 (0.35) CD81PPARGBACE1
SCHEMBL16092 0.78
SCHEMBL28832685 0.78 CD81 (0.41) CD81PPARGPTGS1BACE1
Ethylene Glycol SCHEMBL29396243 0.78 CD81 (0.41) CD81PPARGPTGS1BACE1

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-8084106-B2 Inkjet recording medium and method of manufacturing the same FUJIFILM CORPORATION (JP) 2011-12-27 US disclosed