SCHEMBL1682010

SCHEMBL1682010

CCC(CC)CCC=O.[AlH3]

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 5/20 0.39
CYP3A4 P08684 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.33
FAAH O00519 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPV1 Q8NER1 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
SCHEMBL2452696 0.97
SCHEMBL8193261 0.84 ALDH1A1 (0.39) ALDH1A1TSHRCYP3A4L3MBTL1TDP1
SCHEMBL5377250 0.84 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4L3MBTL1TDP1
SCHEMBL9407140 0.82 ALDH1A1 (0.38) ALDH1A1TSHRCYP3A4L3MBTL1TDP1
SCHEMBL11184382 0.82
SCHEMBL2669555 0.82
SCHEMBL3340866 0.81 TSHR (0.50) ALDH1A1TSHRCYP3A4L3MBTL1TDP1
SCHEMBL2958422 0.80 CYP3A4 (0.53) ALDH1A1TSHRCYP3A4L3MBTL1TDP1
SCHEMBL12345366 0.80 TSHR (0.36) ALDH1A1TSHRCYP3A4L3MBTL1
SCHEMBL10899748 0.79 TSHR (0.48) ALDH1A1TSHRCYP3A4L3MBTL1TDP1

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
WO-2011044518-A2 METHODS OF MAKING METAL-OXIDES AND USES THEREOF FOR WATER TREATMENT AND ENERGY APPLICATIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-04-14 WO disclosed