SCHEMBL27969280

SCHEMBL27969280

CC(C)c1cccc(C2CCCC(C(C)C)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 1/20 0.38
▸ HDAC4 P56524 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ ADAM10 O14672 3/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ MGLL Q99685 2/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ SCD5 Q86SK9 1/20 0.33
▸ MMP2 P08253 1/20 0.33

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
SCHEMBL7634263 0.82 HDAC4 (0.47) HDAC4HDAC2HDAC8ADAM10ERBB2
SCHEMBL5667630 0.80 KMO (0.49) HDAC4HDAC2HDAC8ADAM10ERBB2
SCHEMBL8719601 0.80 TRPA1 (0.41) —
SCHEMBL15566600 0.78 HTR2C (0.43) HDAC4HDAC2HDAC8ADAM10ERBB2
SCHEMBL19730617 0.77 DRD2 (0.57) DRD2DRD3
SCHEMBL24721254 0.75 FFAR4 (0.39) —
SCHEMBL8241673 0.75 HTR2C (0.50) DRD2DRD3
SCHEMBL25016710 0.75 SOS1 (0.40) F2RHDAC4HDAC2HDAC8ADAM10
SCHEMBL25094188 0.74 CHRNB2 (0.49) HDAC4HDAC2HDAC8MGLLDRD2
SCHEMBL23857839 0.73 F2R (0.42) F2RHDAC4HDAC2HDAC8ADAM10

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-104011928-A Organic electrolyte, and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORP 2014-08-27 — — CN disclosed
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