SCHEMBL28776271

SCHEMBL28776271

CCC(CC)C1C=CCCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 7/20 0.40
PSMB5 P28074 7/20 0.40
PSMB2 P49721 7/20 0.40
PSMB11 A5LHX3 6/20 0.40
PSMA7 O14818 6/20 0.40
PSMA1 P25786 6/20 0.40
PSMA2 P25787 6/20 0.40
PSMA3 P25788 6/20 0.40
PSMA4 P25789 6/20 0.40
PSMB8 P28062 6/20 0.40
PSMB9 P28065 6/20 0.40
PSMA5 P28066 6/20 0.40
PSMB4 P28070 6/20 0.40
PSMB6 P28072 6/20 0.40
PSMB10 P40306 6/20 0.40
PSMB3 P49720 6/20 0.40
PSMA6 P60900 6/20 0.40
PSMA8 Q8TAA3 6/20 0.40
PSMB7 Q99436 6/20 0.40

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
SCHEMBL28062651 0.83 PSMB1 (0.37) PSMB1PSMB5PSMB2PSMB11PSMA7
SCHEMBL7980551 0.81 PSMB11 (0.36) PSMB1PSMB5PSMB2PSMB11PSMA7
SCHEMBL9509600 0.80 PSMB11 (0.32) PSMB1PSMB5PSMB2PSMB11PSMA7
SCHEMBL7992642 0.79 PSMB11 (0.35) PSMB1PSMB5PSMB2PSMB11PSMA7
SCHEMBL7994507 0.75 PSMB11 (0.33) PSMB1PSMB5PSMB2PSMB11PSMA7
SCHEMBL1524600 0.75
SCHEMBL11812143 0.75 PSMB11 (0.33) PSMB1PSMB5PSMB2PSMB11PSMA7
SCHEMBL7991214 0.74 SHBG (0.34) PSMB1PSMB5PSMB2PSMB11PSMA7
SCHEMBL7992453 0.74 PSMB11 (0.32) PSMB1PSMB5PSMB2PSMB11PSMA7
SCHEMBL13235977 0.74 PSMB1 (0.38) PSMB1PSMB5PSMB2PSMB11PSMA7

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-101448765-A Process for the alkylation of a cycloalkene SHELL INT RESEARCH (NL) 2009-06-03 CN disclosed