SCHEMBL21574750

SCHEMBL21574750

C=C/C=C/C(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
RECQL P46063 1/20 0.51
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.45
GPR119 Q8TDV5 5/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
STS P08842 3/20 0.42
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 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
SCHEMBL15561286 0.85 HPGD (0.59) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL7603656 0.84 HPGD (0.57) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL18519353 0.80 HPGD (0.60) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL16827771 0.80 HPGD (0.54) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL16827768 0.80 HPGD (0.54) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL28867441 0.80 HPGD (0.54) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL18519351 0.79 HPGD (0.59) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL20459307 0.77 HPGD (0.56) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL28195249 0.76 HPGD (0.68) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL26619792 0.75 HPGD (0.55) HPGDRECQLPTPN2PTPN1PTPN6

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-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP disclosed