SCHEMBL7631032

SCHEMBL7631032

CCCCC1CC[C](OOC(=O)c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TSHR P16473 4/20 0.42
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 3/20 0.42
F2 P00734 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM1 P11229 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38

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
SCHEMBL7629409 0.93 MCHR1 (0.43) LMNATSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7634988 0.88 ALDH1A1 (0.39) LMNATSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7630333 0.88 SCN1A (0.37) LMNATSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7628972 0.87 L3MBTL1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL7624090 0.86 LMNA (0.46) LMNATSHRCYP1A2F2ALDH1A1
SCHEMBL7629434 0.86 PLK1 (0.38) CYP3A4CYP2C9CYP2C19HRH3
SCHEMBL7628002 0.86 HDAC3 (0.41) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7627239 0.86 MAPT (0.43) ALDH1A1MEN1KMT2A
SCHEMBL7625785 0.86 RARB (0.42) ALDH1A1HSD17B10HRH3
SCHEMBL7624315 0.85 THRA (0.44) ALDH1A1MEN1KMT2A

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
EP-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed