SCHEMBL11027064

SCHEMBL11027064

NC(=O)CON=C(c1cccc(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.43
SRD5A2 P31213 1/20 0.43
TBXA2R P21731 5/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
TBXAS1 P24557 3/20 0.42
MAOB P27338 1/20 0.41
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41

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
SCHEMBL10671693 0.85 NPSR1 (0.48) CES2KMT2AMEN1NPSR1LMNA
SCHEMBL9799633 0.84 PARP1 (0.46) KMT2AMEN1ALDH1A1POLB
SCHEMBL9799689 0.83 L3MBTL1 (0.43) KMT2AMAPK1ALDH1A1POLB
SCHEMBL10668346 0.83 F2 (0.51) CES2KMT2AMEN1NPSR1LMNA
SCHEMBL10669808 0.82 NPSR1 (0.48) CES2KMT2AMEN1NPSR1LMNA
SCHEMBL9865405 0.77 IDO1 (0.47) CES2KMT2ALMNASRD5A2TBXA2R
SCHEMBL9864560 0.76 CES2 (0.42) CES2KMT2ANPSR1LMNATBXA2R
SCHEMBL9799575 0.76 PLOD2 (0.41) CES2KMT2ALMNAPOLBMAOB
SCHEMBL11038316 0.76 PLOD2 (0.41) CES2KMT2ALMNAPOLBMAOB
SCHEMBL11040229 0.75 L3MBTL1 (0.43) KMT2AMEN1NPSR1LMNAALDH1A1

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-0094348-B1 OXIME ETHERS, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THE OXIME ETHERS AND THEIR USE CIBA-GEIGY AG (CH) 1985-07-24 EP claimed