SCHEMBL8945542

SCHEMBL8945542

COc1ccccc1CCCCc1c(O)c2cccc(C)c2oc1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.52
GPR55 Q9Y2T6 3/20 0.52
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
ANTXR2 P58335 1/20 0.43
NQO1 P15559 2/20 0.43
GPR18 Q14330 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL8945643 0.87 MAPT (0.44) CNR2GPR55MAPTMEN1KMT2A
SCHEMBL8945436 0.85 VKORC1 (0.55) CNR2MEN1KMT2ANQO1
SCHEMBL7379480 0.82 VKORC1 (0.55) CNR2MEN1KMT2ANQO1
SCHEMBL8945586 0.79 NQO1 (0.58) CNR2MAPTPOLBNQO1
SCHEMBL6952277 0.79 NQO1 (0.54) CNR2POLBNQO1
SCHEMBL8945678 0.78 NQO1 (0.63) CNR2GPR55MAPTPOLBNQO1
SCHEMBL7800243 0.78 NQO1 (0.51) MEN1KMT2ANQO1
SCHEMBL8945339 0.77 NQO1 (0.47) CNR2GPR55MAPTPOLBNQO1
SCHEMBL8945707 0.76 NQO1 (0.46) CNR2GPR55MAPTPOLBNQO1
SCHEMBL8945371 0.75 NQO1 (0.52) CNR2GPR55MAPTPOLBNQO1

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-5510375-A VIRICIDES TREATING INFECTION CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS AND AIDS WARNER-LAMBERT COMPANY (US) 1996-04-23 US disclosed