SCHEMBL21990901

SCHEMBL21990901

C/C=C(\OSC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.48
EPHX1 P07099 1/20 0.45
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
STS P08842 6/20 0.43
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL19564536 0.83 HPGD (0.51) HPGDRECQLEPHX1PTPN2PTPN1
SCHEMBL17713753 0.78 HPGD (0.49) HPGDRECQLEPHX1PTPN2PTPN1
SCHEMBL17713748 0.78 HPGD (0.49) HPGDRECQLEPHX1PTPN2PTPN1
SCHEMBL17725065 0.78 HPGD (0.49) HPGDRECQLEPHX1PTPN2PTPN1
SCHEMBL23826275 0.74 HPGD (0.60) HPGDRECQLEPHX1PTPN2PTPN1
SCHEMBL19626321 0.74 HPGD (0.60) HPGDRECQLEPHX1PTPN2PTPN1
SCHEMBL13599001 0.74 HPGD (0.60) HPGDRECQLEPHX1PTPN2PTPN1
SCHEMBL28195249 0.73 HPGD (0.68) HPGDRECQLEPHX1PTPN2PTPN1
SCHEMBL15918632 0.73 HPGD (0.59) HPGDRECQLEPHX1PTPN2PTPN1
SCHEMBL43357 0.72 HPGD (0.66) HPGDRECQLEPHX1PTPN2PTPN1

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-3317271-B1 INHIBITORS OF EZH2 (ENHANCER OF ZESTE HOMOLOG 2) GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-05-13 EP disclosed