SCHEMBL4408341

SCHEMBL4408341

C[C@@H](CCNC(=O)O)CCC(=O)N1CCC(=NOCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MC4R P32245 3/20 0.40
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
S1PR1 P21453 2/20 0.37
S1PR5 Q9H228 2/20 0.37
PRKD3 O94806 1/20 0.37
CDK7 P50613 1/20 0.37
JAK3 P52333 1/20 0.37
TNK2 Q07912 1/20 0.37
USP2 O75604 2/20 0.36
CYP3A4 P08684 2/20 0.36
NR1I2 O75469 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL8210228 0.83 MEN1 (0.43) KMT2AMEN1MC4RLMNAMAPT
Hydrochloric Acid SCHEMBL4386259 0.82 MEN1 (0.42) KMT2AMEN1MC4RLMNAMAPT
SCHEMBL4385355 0.82 CACNA1B (0.46) KMT2AMEN1FFAR4S1PR1S1PR5
SCHEMBL4388294 0.80 MEN1 (0.51) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL4395353 0.80 MEN1 (0.45) KMT2AMEN1MC4RLMNAMAPT
SCHEMBL8212151 0.80 KMT2A (0.45) KMT2AMEN1MC4RLMNAMAPT
Hydrochloric Acid SCHEMBL4383617 0.79 KMT2A (0.44) KMT2AMEN1MC4RLMNAMAPT
SCHEMBL4410979 0.79 MEN1 (0.48) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL4382633 0.78 MEN1 (0.43) KMT2AMEN1LMNAMAPTPOLB
SCHEMBL13589563 0.77 MC4R (0.47) KMT2AMEN1MC4RLMNAUBE2M

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO disclosed