SCHEMBL27749162

SCHEMBL27749162

CC1CCC=C(C2=CCCCCC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
PSMB5 P28074 3/20 0.31
PTGS2 P35354 1/20 0.31
TYMP P19971 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM1A O60341 1/20 0.31
PSMB1 P20618 1/20 0.30
CSF1R P07333 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL18244172 0.78 TYMP (0.41) HDAC2PSMB5PTGS2TYMPTDP1
SCHEMBL3502363 0.78 TYMP (0.41) HDAC2PSMB5PTGS2TYMPTDP1
SCHEMBL119773 0.78 TYMP (0.41) HDAC2PSMB5PTGS2TYMPTDP1
SCHEMBL2105114 0.78 TYMP (0.41) HDAC2PSMB5PTGS2TYMPTDP1
SCHEMBL3233362 0.78 TYMP (0.41) HDAC2PSMB5PTGS2TYMPTDP1
SCHEMBL18244171 0.78 TYMP (0.41) HDAC2PSMB5PTGS2TYMPTDP1
SCHEMBL3796623 0.78 TYMP (0.41) HDAC2PSMB5PTGS2TYMPTDP1
SCHEMBL3233355 0.78 TYMP (0.41) HDAC2PSMB5PTGS2TYMPTDP1
SCHEMBL11201526 0.78 TYMP (0.41) HDAC2PSMB5PTGS2TYMPTDP1
SCHEMBL21057468 0.78 TYMP (0.41) HDAC2PSMB5PTGS2TYMPTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101490126-B Ring-opening metathesis polymer, hydrogenated product thereof, process for producing the same, and use thereof MITSUI CHEMICALS INC 2011-09-14 CN disclosed
CN-101490126-A Ring-opening metathesis polymer, hydrogenated product thereof, process for producing the same, and use thereof MITSUI CHEMICALS INC (JP) 2009-07-22 CN disclosed