SCHEMBL9224031

SCHEMBL9224031

CCCCCC1(c2ccccc2OB(O)O)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.39
CNR2 P34972 4/20 0.39
SLC6A3 Q01959 6/20 0.37
SLC6A4 P31645 6/20 0.37
SLC6A2 P23975 4/20 0.37
CETP P11597 4/20 0.37
THRB P10828 1/20 0.34
GPR55 Q9Y2T6 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL8727486 0.91 SLC6A3 (0.37) SLC6A3SLC6A4SLC6A2CETPTHRB
SCHEMBL10612019 0.83 CNR1 (0.43) CNR1CNR2SLC6A3SLC6A4SLC6A2
SCHEMBL8743740 0.81 LIPG (0.44) CNR1CNR2SLC6A3SLC6A4SLC6A2
SCHEMBL10600542 0.79 SLC6A3 (0.37) CNR1CNR2SLC6A3SLC6A4SLC6A2
SCHEMBL9751888 0.79 SLC6A4 (0.38) CNR1CNR2SLC6A3SLC6A4SLC6A2
SCHEMBL28187956 0.79 CNR2 (0.50) CNR1CNR2SLC6A3SLC6A4SLC6A2
SCHEMBL28984526 0.78 ALDH1A1 (0.39) CNR1CNR2SLC6A3SLC6A4SLC6A2
SCHEMBL8578783 0.76 CNR1 (0.37) CNR1CNR2SLC6A3SLC6A4SLC6A2
SCHEMBL9359055 0.75 CYP2C9 (0.45) SLC6A3SLC6A4SLC6A2CETPTHRB
SCHEMBL8575963 0.75 CNR1 (0.38) CNR1CNR2SLC6A3SLC6A4SLC6A2

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-5403512-A Fluorovinyloxybenzenes having low viscosity, stability, high; dielectric anisotropy and good low temperature behavior; displays; twisted cells MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-04-04 US disclosed