SCHEMBL7457166

SCHEMBL7457166

CCCCOC(=O)N[C@@H](C)C(OC(N)=O)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
FAAH O00519 1/20 0.39
LMNA P02545 3/20 0.39
MMEL1 Q495T6 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
SCHEMBL7516721 0.79 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1HPGDL3MBTL1
SCHEMBL4597773 0.78 EPHX2 (0.48) EPHX2SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL5500456 0.76 MMEL1 (0.48) EPHX2SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL7519887 0.76 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1HPGDL3MBTL1
SCHEMBL15478278 0.71 EPHX2 (0.39) EPHX2SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL15478277 0.71 EPHX2 (0.39) EPHX2SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL15779862 0.71 EPHX2 (0.39) EPHX2SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL7873634 0.70 RAB9A (0.47) SMN1; SMN2RAB9ANPC1HPGDL3MBTL1
SCHEMBL5720860 0.70 EPHX2 (0.47) EPHX2L3MBTL1MEN1KMT2AFAAH
SCHEMBL28860806 0.69 EPHX2 (0.49) EPHX2TSHRLMNA

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
EP-0873308-B1 O-CARBAMOYL-PHENYLALANINOL COMPOUNDS AND THEIR PHARMACEUTICALLY USEFUL SALTS SK CORP (KR) 2002-01-02 EP disclosed