SCHEMBL4454788

SCHEMBL4454788

CCP(=O)(OC1CC1)OC1CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ACHE P22303 1/20 0.35
TERT O14746 1/20 0.32
UCHL3 P15374 1/20 0.32
AKT1 P31749 1/20 0.32
MAPK14 Q16539 1/20 0.32
INPP5A Q14642 1/20 0.31
PPARD Q03181 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL575443 0.90 ACHE (0.47) TSHRACHETERTUCHL3AKT1
SCHEMBL591043 0.89 TSHR (0.39) TSHRACHE
SCHEMBL575090 0.88 ACHE (0.50) TSHRACHE
SCHEMBL31427124 0.84 TSHR (0.34) TSHRACHE
SCHEMBL575179 0.81 TSHR (0.52) TSHRACHEPPARDTP53TDP1
SCHEMBL4456145 0.80 TSHR (0.33) TSHRACHETERTUCHL3AKT1
SCHEMBL575699 0.80 ACHE (0.42) TSHRACHE
SCHEMBL575189 0.78 ACHE (0.46) TSHRACHE
SCHEMBL4451817 0.77 SMN1; SMN2 (0.41) TSHRTERTUCHL3AKT1MAPK14
SCHEMBL4128024 0.75 TSHR (0.31) TSHR

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-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed