SCHEMBL27602008

SCHEMBL27602008

COc1cc(C(C)(C)CCCC(C)C)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.48
CNR1 P21554 5/20 0.48
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FOS P01100 1/20 0.45
TTR P02766 1/20 0.45
JUN P05412 1/20 0.45
NR3C1 P04150 1/20 0.45
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45

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
SCHEMBL3701630 0.83 PKM (0.47) CNR2CNR1CYP3A4CYP1A2CYP2D6
SCHEMBL20942165 0.81 CNR2 (0.52) CNR2CNR1TSHRPOLBHSD17B2
SCHEMBL6716285 0.80 CNR2 (0.43) CNR2CNR1CYP3A4KMT2A
SCHEMBL22566844 0.80 MAOB (0.55) CNR2CNR1TSHRMAOBESR1
SCHEMBL3436061 0.78 MAOB (0.50) CNR2CNR1TSHRMEN1CYP1A2
SCHEMBL18574474 0.78 HSD17B2 (0.46) CYP3A4TSHRBLMPMP22FOS
SCHEMBL6828614 0.77 ALDH1A1 (0.47) CNR2CNR1CYP3A4TSHRMEN1
SCHEMBL27800149 0.76 TSHR (0.53) CYP3A4TSHRMEN1CYP1A2BLM
SCHEMBL13819538 0.76 ALOX5 (0.41) CNR2CNR1KMT2A
SCHEMBL23057414 0.74 MAOB (0.50) CYP3A4TSHRMEN1BLMKMT2A

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
CN-1652766-A Topical formulations of resorcinol and cannabinoids and methods of administration thereof IMMUGEN PHARMACEUTICALS INC (US) 2005-08-10 CN disclosed