SCHEMBL27660874

SCHEMBL27660874

CCCCOc1[c]ccc(CC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LTA4H P09960 2/20 0.34
ESR1 P03372 4/20 0.34
LMNA P02545 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 2/20 0.34
CYP2D6 P10635 1/20 0.34
NR1H2 P55055 1/20 0.34
RNASEL Q05823 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PDE4D Q08499 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL27680870 0.88 SKP2 (0.39) LMNASMN1; SMN2MAPK1CYP2D6THRA
SCHEMBL27660870 0.86 CSNK2A1 (0.41) TSHRLTA4HLMNACYP1A2CYP2C19
SCHEMBL7690729 0.83 NQO1 (0.34) CYP1A2
SCHEMBL677451 0.80 LTA4H (0.43) TSHRL3MBTL1LTA4HCYP1A2CYP2C19
SCHEMBL9998500 0.80 LTA4H (0.35) TSHRTDP1L3MBTL1LTA4HESR1
SCHEMBL159471 0.79 TSHR (0.36) TSHRTDP1L3MBTL1LTA4HLMNA
SCHEMBL29280364 0.77 SKP2 (0.39) L3MBTL1SMN1; SMN2MAPK1ALDH1A1MAPT
SCHEMBL20703535 0.77 NQO1 (0.43) TSHRTDP1LTA4HCYP1A2CYP2C19
SCHEMBL458330 0.77 PTGS2 (0.42) CYP1A2
Magnesium Chloride Anhydrous SCHEMBL27757421 0.77 THRA (0.37) TSHRLMNASMN1; SMN2MAPK1THRA

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
CN-100564383-C Organosilicon compound and manufacture method thereof SUMITOMO CHEMICAL CO (JP) 2009-12-02 CN disclosed
CN-1930174-A Organosilicon compound and method for producing same SUMITOMO CHEMICAL CO (JP) 2007-03-14 CN disclosed