SCHEMBL13655381

SCHEMBL13655381

CC(OC(=O)[C@@](C)(Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1)C(=O)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
MGLL Q99685 2/20 0.40
SMYD3 Q9H7B4 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
MC4R P32245 2/20 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
SCHEMBL3299127 0.82 PPARG (0.60) PPARGMEN1KMT2ADPP4DPP7
SCHEMBL12189840 0.82 PPARG (0.60) PPARGMEN1KMT2ADPP4DPP7
SCHEMBL3299123 0.82 PPARG (0.60) PPARGMEN1KMT2ADPP4DPP7
SCHEMBL3299728 0.82 PPARG (0.60) PPARGMEN1KMT2ADPP4DPP7
SCHEMBL13324898 0.77 PPARG (0.62) PPARGMEN1KMT2ALMNAHTT
SCHEMBL13359395 0.77 PPARG (0.62) PPARGMEN1KMT2ALMNAHTT
SCHEMBL13655312 0.77 PPARG (0.53) PPARGLMNAHTTMAPTHPGD
SCHEMBL12097949 0.76 ALDH1A1 (0.51) MEN1KMT2ALMNAHTTMAPT
SCHEMBL12097951 0.76 ALDH1A1 (0.51) MEN1KMT2ALMNAHTTMAPT
SCHEMBL16502054 0.74 PPARG (0.57) PPARGMEN1KMT2ALMNAHTT

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
WO-2009121940-A1 PROCESS FOR THE PREPARATION OF (-)-(4-CHLORO-PHENYL)-(3-TRIFLUOROMETHYL-PHENOXY)-ACETIC ACID 2-ACETYLAMINO-ETHYL ESTER JANSSEN PHARMACEUTICA NV (BE) 2009-10-08 WO disclosed