SCHEMBL3434849

SCHEMBL3434849

CCCCCC(C)N1C(=O)O[C@@H](c2ccccc2Cl)[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM2 Q14416 7/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
CYP2C19 P33261 1/20 0.33
FDFT1 P37268 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
SCHEMBL3435602 0.87 TSHR (0.41) ALDH1A1SMN1; SMN2KDM4EGAAL3MBTL1
SCHEMBL15082804 0.81 HTT (0.36) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL3434999 0.81 HTT (0.36) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL3435945 0.74 KDM4E (0.43) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL15083026 0.74 KDM4E (0.43) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL3434602 0.74 FFAR1 (0.39) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL3437228 0.74 FFAR1 (0.39) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL3436170 0.74 FFAR1 (0.39) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL17446660 0.68 GRM2 (0.42) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL17446324 0.68 GRM2 (0.42) ALDH1A1SMN1; SMN2KDM4EGLAGAA

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-2012002773-A2 PHENYLCARBAMATE COMPOUND AND MUSCLE RELAXANT CONTAINING THE SAME BIO-PHARM SOLUTIONS CO., LTD. (KR) 2012-01-05 WO disclosed