SCHEMBL28194451

SCHEMBL28194451

C(OCC1CO1)C1CO1.CCCC(O)CC(O)CCC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
PDCD4 Q53EL6 1/20 0.31
PDK1 Q15118 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 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
SCHEMBL28054200 0.95 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL6305972 0.87 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL16423569 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL21795690 0.85 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL18110 0.85 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL16423692 0.83 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL16423571 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL11211350 0.81 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Methylamine SCHEMBL28321012 0.81 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Water SCHEMBL29133266 0.81 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1

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
CN-107542226-A By steam-pressing aero-concrete(AAC)Manufactured reinforcement building block 赢创德固赛有限公司 2018-01-05 CN disclosed