SCHEMBL6662651

SCHEMBL6662651

CC(COCC1CO1)(C1CCC(O)CC1)C1CCC(O)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 3/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
HIF1A Q16665 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
SCHEMBL284675 0.82 TSHR (0.50) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL733108 0.77 TSHR (0.61) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL6004388 0.75 TSHR (0.60) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL1192364 0.74 TSHR (0.69) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL16039241 0.74 TSHR (0.69) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL13558703 0.73 TSHR (0.75) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL36455 0.73 TSHR (1.00) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL260117 0.73 TSHR (0.75) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL551254 0.73 TSHR (0.75) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL27460441 0.72 TSHR (0.50) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1

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
EP-1269261-B1 SOLID IMAGING COMPOSITIONS FOR PREPARING POLYPROPYLENE-LIKE ARTICLES DSM IP ASSETS BV (NL) 2004-07-21 EP claimed