SCHEMBL8771892

SCHEMBL8771892

CC(C)OC(=O)N(C(C)CSc1ccc(F)cc1)[C@H](C(N)=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
PKM P14618 1/20 0.32
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
GAA P10253 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL8771888 0.78 ALDH1A1 (0.36) MAPTPOLBALDH1A1GAANPC1
SCHEMBL8771869 0.77 MAPT (0.34) MAPTALDH1A1
SCHEMBL8772026 0.76 MTNR1A (0.40) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL8771912 0.69 KDM4E (0.42) MAPTALDH1A1HPGDGAANPSR1
SCHEMBL8771767 0.68 MMP2 (0.44) MAPTALDH1A1HPGD
SCHEMBL8771835 0.68 SCN9A (0.34) MAPTGAAMEN1KMT2A
SCHEMBL8896743 0.68 ALOX5 (0.41) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8771884 0.67 POLB (0.37) MAPTPOLBALDH1A1HPGDNPSR1
SCHEMBL8896175 0.67 ALOX5 (0.40) GAACYP1A2
SCHEMBL8771937 0.67 TDP1 (0.38) MAPTTDP1L3MBTL1ALDH1A1NPC1

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-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed