SCHEMBL21374400

SCHEMBL21374400

O=C(OC1C2CC3CC(C2)CC1C3)c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.57
PTPN1 P18031 2/20 0.57
PTPRF P10586 1/20 0.57
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 1/20 0.43
HSD11B1 P28845 2/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
EPHX1 P07099 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL22738485 0.83 SCN1A (0.49) PTPN2PTPN1NPSR1EPHX2HSD11B1
SCHEMBL28223255 0.83 CHRNA7 (0.49) EPHX2HSD11B1MEN1KMT2ACHRNA7
SCHEMBL28062260 0.80 EPHX2 (0.41) PTPN2PTPN1PTPRFEPHX2HSD11B1
SCHEMBL16428864 0.76 PTPN2 (0.56) PTPN2PTPN1PTPRFNPSR1L3MBTL1
SCHEMBL14336049 0.74 CA1 (0.45) PTPN2PTPN1PTPRFL3MBTL1HSD11B1
SCHEMBL28462449 0.73 SERPINE1 (0.57) PTPN1L3MBTL1EPHX2CA1CA2
SCHEMBL22354415 0.73 EPHX2 (0.40) PTPN2PTPN1EPHX2HSD11B1MEN1
SCHEMBL14649892 0.73 MEN1 (0.47) EPHX2HSD11B1MEN1KMT2AEPHX1
SCHEMBL27964590 0.73 PTPN2 (0.71) PTPN2PTPN1PTPRFNPSR1MEN1
SCHEMBL4952424 0.72 CYP4F2 (0.41) NPSR1EPHX2HSD11B1MAPTSMN1; SMN2

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
US-20190288217-A1 ORGANIC ELECTRONIC MATERIAL, ORGANIC LAYER, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY ELEMENT, ILLUMINATION DEVICE, AND DISPLAY DEVICE RESONAC CORPORATION (JP) 2019-09-19 US disclosed