SCHEMBL28018403

SCHEMBL28018403

O=C(Oc1ccc(C(F)(F)F)cc1)C(=O)ON1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.48
RAB9A P51151 2/20 0.47
AKR1C3 P42330 1/20 0.47
EPHX2 P34913 5/20 0.45
KIF11 P52732 1/20 0.43
CD274 Q9NZQ7 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL28018948 0.84 KMT2A (0.52) LIPERAB9AAKR1C3CYP1A2CYP2C9
SCHEMBL5652083 0.75 LIPE (0.74) LIPERAB9AAKR1C3CYP1A2CYP2C9
SCHEMBL3822896 0.73 L3MBTL1 (0.41) RAB9ASMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL16463810 0.72 TSHR (0.43) LIPESMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL4472090 0.71 MAPT (0.55) RAB9AEPHX2SMN1; SMN2HPGDALDH1A1
SCHEMBL12520685 0.70 PDE10A (0.43) AKR1C3
SCHEMBL24361155 0.70 KIF11 (0.58) EPHX2KIF11ALDH1A1
SCHEMBL9595594 0.70 LIPG (0.52) LIPEEPHX2KIF11MMP2MMP13
SCHEMBL3420665 0.69 KIF11 (0.56) KIF11CYP2C19HPGDALDH1A1KDM4E
SCHEMBL6912783 0.69 KIF11 (0.66) EPHX2KIF11HPGDALDH1A1KDM4E

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-104703973-A Substituted phenyl carbamate compounds HOFFMANN LA ROCHE 2015-06-10 CN disclosed