SCHEMBL13401341

SCHEMBL13401341

CCC(CC(C)(C)CC(C)(CC)CC)OCC1CO1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARG P37231 1/20 0.30
HIF1A Q16665 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL17559511 0.77 SMN1; SMN2 (0.43) TSHRMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL530122 0.76 ALDH1A1 (0.39) TSHRMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL21795691 0.74 SMN1; SMN2 (0.41) TSHRMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL9066356 0.73 TSHR (0.41) TSHRMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL12065003 0.73 ALDH1A1 (0.40) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL21468732 0.71 ALDH1A1 (0.33) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL1458135 0.71 ALDH1A1 (0.33) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL28405766 0.71 TSHR (0.39) TSHRMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL3227018 0.71 ALDH1A1 (0.39) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL4740030 0.71 ALDH1A1 (0.39) TSHRMAPK1ALDH1A1SMN1; SMN2TP53

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-20100087618-A1 Linear (meth)acryloyl-containing compound, star (meth) acryloyl- containing compound, and method of manufacture DIC CORPORATION (JP) 2010-04-08 US disclosed