SCHEMBL22738652

SCHEMBL22738652

c1ccc(-c2ccc(CCOC3CC4CCC3C4)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
CYP19A1 P11511 1/20 0.36
OPRK1 P41145 2/20 0.36
OPRD1 P41143 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.35
FFAR1 O14842 1/20 0.35
NAAA Q02083 2/20 0.35
EPHX2 P34913 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL21549664 0.91 OPRM1 (0.43) OPRM1CYP19A1OPRK1OPRD1MEN1
SCHEMBL4368394 0.75 PSEN1 (0.45) OPRM1CYP19A1HPGD
SCHEMBL24145436 0.74 CYP19A1 (0.68) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL18560858 0.71 KMT2A (0.37) MEN1RAB9AKMT2AFFAR1NAAA
SCHEMBL14537115 0.70 EPHX2 (0.40) OPRM1MEN1KMT2AEPHX2HRH3
SCHEMBL8196587 0.69 ALDH1A1 (0.40) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL19798402 0.68 EPHX2 (0.50) RAB9AEPHX2
SCHEMBL14003134 0.67 CYP19A1 (0.43) CYP19A1MEN1RAB9AKMT2A
SCHEMBL7154565 0.67 KMT2A (0.50) PDE4APDE4BPDE4CPDE4DCYP19A1
SCHEMBL4374759 0.66 SLC6A4 (0.42) PDE4APDE4BPDE4CPDE4DCYP19A1

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-2020243381-A1 FAST PHOTOCURABLE POLYCYCLOOLEFIN COMPOSITIONS AS OPTICAL OR 3D PRINTING MATERIALS PROMERUS, LLC (US) 2020-12-03 WO disclosed