SCHEMBL28259692

SCHEMBL28259692

Cc1ccccc1C1(C)CCCCC1.Cc1ccccc1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.46
PRCP P42785 1/20 0.38
HDAC4 P56524 2/20 0.38
HSD11B1 P28845 1/20 0.36
PTGS2 P35354 1/20 0.35

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
SCHEMBL27533686 0.85 PRCP (0.43) PRCPPTGS2
SCHEMBL930222 0.85 PRCP (0.43) PRCPPTGS2
SCHEMBL6152617 0.83 HDAC4 (0.49) HDAC4HSD11B1
Benzene SCHEMBL28837788 0.82 HDAC4 (0.47) HDAC4HSD11B1
SCHEMBL8130416 0.82 HTR2C (0.64) HTR2CPTGS2
SCHEMBL29871435 0.82 HTR2C (0.64) HTR2CPTGS2
SCHEMBL1128179 0.82 HTR2C (0.64) HTR2CPTGS2
SCHEMBL11800826 0.82 HDAC4 (0.50) HDAC4HSD11B1
SCHEMBL31469392 0.80 HTR2C (0.67) HTR2CHSD11B1PTGS2
SCHEMBL43079 0.80 HTR2C (0.67) HTR2CHSD11B1PTGS2

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-108884002-A The oxidation of methyl substituted biphenol compound 埃克森美孚化学专利公司 2018-11-23 CN disclosed