SCHEMBL28293147

SCHEMBL28293147

C=C(C(=O)Oc1ccnn1C)C(C)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
SSTR4 P31391 1/20 0.33
HTT P42858 2/20 0.33
PIK3CD O00329 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
FFAR1 O14842 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3427273 0.74 SMN1; SMN2 (0.40) SMN1; SMN2SSTR4HTTALDH1A1KMT2A
SCHEMBL27359663 0.74 HTT (0.42) SMN1; SMN2SSTR4HTTALDH1A1KMT2A
SCHEMBL23141464 0.73 SMN1; SMN2 (0.39) SMN1; SMN2SSTR4HTTALDH1A1GAA
SCHEMBL28645911 0.72 THRB (0.39) SMN1; SMN2SSTR4HTTALDH1A1KMT2A
SCHEMBL5081333 0.68 ELANE (0.47) SMN1; SMN2ALDH1A1GAAKMT2AL3MBTL1
SCHEMBL21576228 0.67 SSTR4 (0.41) SSTR4HTTPIK3CDALDH1A1GAA
SCHEMBL26085412 0.67 SSTR4 (0.36) SSTR4CYP1A2CYP2D6CYP2C19FFAR1
SCHEMBL20931368 0.66 S1PR1 (0.38) SMN1; SMN2SSTR4HTTALDH1A1NPC1
SCHEMBL30293897 0.66 NAMPT (0.44) SMN1; SMN2ALDH1A1GAANPC1CYP1A2
SCHEMBL2126065 0.66

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-109759139-A A kind of environment-friendly sewage processing photoactivation material and preparation method thereof 南京融众环境工程研究院有限公司 2019-05-17 CN disclosed