Phenol

Phenol

SCHEMBL11623264

CCCCCC(C)(C)c1ccc(O)c(Sc2cc(C(C)(C)CCCCC)ccc2O)c1.[Ni+2].[O-]c1ccccc1.[O-]c1ccccc1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.49
CNR1 P21554 17/20 0.49
GPR18 Q14330 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
Phenol SCHEMBL11581417 1.00 CNR2 (0.49) CNR2CNR1GPR18GPR55
SCHEMBL51668 0.88 CNR2 (0.55) CNR2CNR1
SCHEMBL11686566 0.88 CNR2 (0.47) CNR2CNR1
SCHEMBL2059692 0.87 CNR2 (0.53) CNR2CNR1
SCHEMBL11578857 0.87 CNR2 (0.57) CNR2CNR1
SCHEMBL3825937 0.87 CNR2 (0.53) CNR2CNR1
Phenol SCHEMBL11622886 0.83 CNR2 (0.46) CNR2CNR1GPR18GPR55
Butylamine SCHEMBL10880274 0.82 CNR1 (0.51) CNR2CNR1
Dodecanol SCHEMBL9297423 0.82 CNR1 (0.54) CNR2CNR1GPR18GPR55
Butylamine SCHEMBL1532624 0.81 CNR1 (0.50) CNR2CNR1

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-4101430-A ORGANOSULFUR NICKEL COMPLEX AS ANTIOXIDANT MOBIL OIL CORPORATION (US) 1978-07-18 US disclosed