SCHEMBL3414933

SCHEMBL3414933

C=CCOC[C@H](NCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
FOLH1 Q04609 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
PPARA Q07869 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CACNA1C Q13936 1/20 0.38

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
SCHEMBL3414931 1.00 CASP1 (0.44) CASP1SMN1; SMN2FOLH1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL20996763 0.81 FOLH1 (0.57) FOLH1PPARACA1CA2CA7
SCHEMBL17078082 0.80 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1TSHRATML3MBTL1
SCHEMBL12671909 0.80 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1TSHRATML3MBTL1
SCHEMBL12671895 0.80 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1TSHRATML3MBTL1
Hydrochloric Acid SCHEMBL2528761 0.79 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1TSHRATML3MBTL1
SCHEMBL24448342 0.79 PPARA (0.51) CASP1FOLH1PPARA
SCHEMBL8202407 0.79 PPARA (0.51) CASP1FOLH1PPARA
SCHEMBL31669011 0.75 CYP2C9 (0.41) GAAMAPTPOLBCA12CA1
SCHEMBL28927208 0.75 CYP2C9 (0.41) GAAMAPTPOLBCA12CA1

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-2010053050-A1 O-ALKYLSERINE, AND PROCESS FOR PRODUCING N-BENZYL-O-ALKYLSERINE 株式会社カネカ (JP) 2010-05-14 WO disclosed