SCHEMBL14099547

SCHEMBL14099547

CCOC(=O)CSCC(C)C(=O)OCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 8/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HSD17B10 Q99714 4/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
PRNP P04156 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TRPA1 O75762 1/20 0.33
ALOX15 P16050 2/20 0.32
CYP3A4 P08684 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
SCHEMBL7025313 0.88 CYP2C19 (0.51) CYP1A2CYP2C9CYP2C19HTTGAA
SCHEMBL17640842 0.84 CYP1A2 (0.33) CYP1A2CYP2C9CYP2C19HTT
SCHEMBL15257474 0.83 ADRA2A (0.43) CYP1A2CYP2C9CYP2C19HTTGAA
SCHEMBL7032280 0.81 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HTTGAA
SCHEMBL7033401 0.81 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL12055920 0.80 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19HTTGAA
SCHEMBL12055917 0.78 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19HTTGAA
SCHEMBL10608797 0.75 ACHE (0.41) CYP2C9ALDH1A1HSD17B10TP53TSHR
SCHEMBL31065468 0.74 METAP2 (0.42) CYP1A2CYP2C9CYP2C19HTTGAA
SCHEMBL9874566 0.74 ALDH1A1 (0.38) CYP1A2CYP2C9CYP2C19HTTGAA

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-7399508-B2 Recording medium FUJIFILM CORPORATION (JP) 2008-07-15 US disclosed