SCHEMBL23933232

SCHEMBL23933232

COc1ccc(C2C[CH]C2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.43
PDE4A P27815 5/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
ALOX15 P16050 1/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
DPP4 P27487 1/20 0.37
TUBB4A P04350 4/20 0.37
TUBB P07437 4/20 0.37
TUBA3C P0DPH7 4/20 0.37
TUBA1B P68363 4/20 0.37
TUBA4A P68366 4/20 0.37
TUBB4B P68371 4/20 0.37
TUBB3 Q13509 4/20 0.37
TUBB2A Q13885 4/20 0.37
TUBB8 Q3ZCM7 4/20 0.37
TUBA3E Q6PEY2 4/20 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
SCHEMBL16553704 0.85 QDPR (0.46) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL172801 0.81 PDE4B (0.50) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL7723660 0.80 PDE4B (0.49) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL18664745 0.77 QDPR (0.48) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL15314625 0.77 QDPR (0.48) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL5584591 0.77 HTR2C (0.55) PDE4BQDPR
SCHEMBL5584588 0.77 NR3C1 (0.43) NR3C1PDE4APDE4BPDE4CPDE4D
SCHEMBL30866520 0.76 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DALOX15
SCHEMBL18640061 0.76 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DALOX15
SCHEMBL12856094 0.75 PDE4B (0.45) PDE4APDE4BPDE4CPDE4DALOX15

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-2021217040-A1 CARBAMATE AND UREA DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO claimed