SCHEMBL19982733

SCHEMBL19982733

N#CC(NC1CCCCC1)C(O)C(=O)NCCOC1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.32
DPP4 P27487 1/20 0.31
EPHX2 P34913 1/20 0.31
YAP1 P46937 1/20 0.31
TEAD4 Q15561 1/20 0.31
F2 P00734 3/20 0.31
PRSS1 P07477 3/20 0.31
EPHX1 P07099 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL19974707 0.81 METAP2 (0.36) METAP2EPHX2YAP1TEAD4EPHX1
SCHEMBL8055779 0.68 NAAA (0.36) METAP2EPHX2EPHX1SMN1; SMN2TSHR
SCHEMBL19974902 0.67 ADH1C (0.41) METAP2EPHX1
SCHEMBL22132035 0.66 EPHX1 (0.44) EPHX2EPHX1SMN1; SMN2TSHR
SCHEMBL19982895 0.66 ADH1B (0.38)
SCHEMBL19982712 0.66 EPHX1 (0.33) DPP4EPHX2EPHX1SMN1; SMN2
SCHEMBL19982886 0.64 NPC1 (0.34) DPP4EPHX2EPHX1SMN1; SMN2
SCHEMBL13419170 0.63 NPC1 (0.47) EPHX1SMN1; SMN2
SCHEMBL14407371 0.62 EPHX1 (0.40) EPHX2EPHX1SMN1; SMN2
SCHEMBL22131907 0.61 MAPK1 (0.40) EPHX1SMN1; SMN2TSHR

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-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed