SCHEMBL5866210

SCHEMBL5866210

C=C(C)C(=O)OCC1OC(=O)CC1C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TSHR P16473 4/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRKCA P17252 6/20 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
SCHEMBL12903287 0.81 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL23199076 0.75 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL12121040 0.74 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL246722 0.74 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL512480 0.73 ALDH1A1 (0.56) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL10159587 0.73 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL1951869 0.72 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL12903324 0.71 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL3759455 0.71 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL445031 0.71 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19

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-7144675-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-12-05 US disclosed
US-20040048192-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2004-03-11 US disclosed