SCHEMBL3435602

SCHEMBL3435602

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 3/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PYGL P06737 3/20 0.33
PYGM P11217 3/20 0.33
GRM2 Q14416 1/20 0.33
GAA P10253 2/20 0.33
TP53 P04637 1/20 0.33
HSD11B1 P28845 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CHRNA7 P36544 2/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL3434849 0.87 ALDH1A1 (0.35) ALDH1A1POLBHTTSMN1; SMN2KDM4E
SCHEMBL15082804 0.86 HTT (0.36) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL3434999 0.86 HTT (0.36) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL15083026 0.79 KDM4E (0.43) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL3435945 0.79 KDM4E (0.43) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL3434602 0.76 FFAR1 (0.39) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL3437228 0.76 FFAR1 (0.39) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL3436170 0.76 FFAR1 (0.39) TSHRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL18568099 0.74 TSHR (0.34) TSHRALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL3433552 0.71 RXFP1 (0.45) TSHRALDH1A1POLBHTTKDM4E

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