SCHEMBL21089276

SCHEMBL21089276

CC(C)(C)OC(=O)C(C)(C)CNC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.47
GAA P10253 1/20 0.44
BTK Q06187 1/20 0.39
EPHX2 P34913 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
DGAT1 O75907 1/20 0.36
ANPEP P15144 2/20 0.36
ERAP2 Q6P179 2/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1459251 0.98 EPHX1 (0.44) EPHX1GAABTKEPHX2HDAC4
SCHEMBL3666819 0.84 EPHX2 (0.41) EPHX1GAAEPHX2NPSR1KDM4E
Hydrochloric Acid SCHEMBL1458776 0.83 EPHX2 (0.40) EPHX1EPHX2NPSR1KDM4EPOLB
SCHEMBL3988453 0.82 POLB (0.48) EPHX1GAAEPHX2NPSR1KDM4E
SCHEMBL1203989 0.80 POLB (0.46) GAAEPHX2KDM4EPOLBL3MBTL1
SCHEMBL21088943 0.79 EPHX1 (0.41) EPHX1EPHX2NPSR1KDM4EPOLB
SCHEMBL13846152 0.77 SMN1; SMN2 (0.40) EPHX1EPHX2KDM4EPOLBPDK1
SCHEMBL11373425 0.76 EPHX1 (0.49) EPHX1GAABTKEPHX2HDAC4
SCHEMBL2547400 0.76 EPHX1 (0.49) EPHX1GAABTKEPHX2HDAC4
Hydrochloric Acid SCHEMBL630248 0.75 EPHX1 (0.48) EPHX1GAABTKEPHX2HDAC4

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-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed