SCHEMBL4451817

SCHEMBL4451817

CCCCP(=O)(OC1CC1)OC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
TERT O14746 1/20 0.38
UCHL3 P15374 1/20 0.38
AKT1 P31749 1/20 0.38
MAPK14 Q16539 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.33
GABBR2 O75899 1/20 0.33
GABRR1 P24046 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
FAAH O00519 1/20 0.32
LPAR3 Q9UBY5 3/20 0.32
LPAR2 Q9HBW0 1/20 0.32

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
SCHEMBL4451300 0.90 ACHE (0.44) SMN1; SMN2HPGDTERTUCHL3AKT1
SCHEMBL4456145 0.86 TSHR (0.33) SMN1; SMN2HPGDTERTUCHL3AKT1
SCHEMBL9249996 0.86 NAAA (0.43) TERTUCHL3AKT1MAPK14TRPM8
SCHEMBL2485126 0.84 ACHE (0.40) SMN1; SMN2HPGDTERTUCHL3AKT1
SCHEMBL575453 0.83 ACHE (0.38) SMN1; SMN2HPGDTERTUCHL3AKT1
SCHEMBL575220 0.81 ACHE (0.41) SMN1; SMN2HPGDTERTUCHL3AKT1
SCHEMBL3294657 0.79 TERT (0.43) SMN1; SMN2HPGDTERTUCHL3AKT1
SCHEMBL4448634 0.78 PPARD (0.35)
SCHEMBL4454835 0.77 ACHE (0.47) TERTUCHL3AKT1MAPK14
SCHEMBL4452127 0.77 PPARD (0.34)

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