SCHEMBL28524501

SCHEMBL28524501

CCC(C)OOCC1CO1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 8/20 0.43
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 4/20 0.36
MAPK1 P28482 1/20 0.36
GLA P06280 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

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
SCHEMBL1847780 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL93383 0.78
SCHEMBL28518623 0.77 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28515488 0.76 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL27677488 0.75 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Benzene SCHEMBL8045689 0.73 TDP1 (0.41) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL14865749 0.72 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28516251 0.72 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28513528 0.72 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL4217261 0.71 SMN1; SMN2 (0.54) 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-112423868-A Homomorous membranes comprising crosslinked multiblock copolymers 3M创新有限公司 2021-02-26 CN disclosed