SCHEMBL6060949

SCHEMBL6060949

CCC1(C2(C(=O)O)CCCC2OC(=O)c2ccccc2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.38
CHRNA7 P36544 3/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
SCN1A P35498 2/20 0.37
SCN2A Q99250 2/20 0.37
SCN3A Q9NY46 2/20 0.37
LMNA P02545 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6060392 0.87 SCN1A (0.40) MEN1KMT2AGAACHRNA7HTR3E
SCHEMBL6060103 0.84 GAA (0.46) MEN1KMT2AGAACHRNA7HTR3E
SCHEMBL6060883 0.83 GAA (0.47) MEN1KMT2AGAACHRNA7HTR3E
SCHEMBL4816473 0.74 TSHR (0.41) MEN1KMT2AGAACHRNA7HTR3E
SCHEMBL6060825 0.74 KMT2A (0.40) MEN1KMT2AGAACHRNA7HTR3E
SCHEMBL5069938 0.72 BCHE (0.40) MEN1KMT2AGAACHRNA7HTR3E
SCHEMBL4811742 0.72 SMN1; SMN2 (0.42) MEN1KMT2AGAACHRNA7LMNA
SCHEMBL5073187 0.71 BCHE (0.39) MEN1KMT2AGAACHRNA7HTR3E
SCHEMBL5501580 0.71 CHRNA7 (0.44) MEN1KMT2AGAACHRNA7HTR3E
SCHEMBL27623429 0.71 CHRNA7 (0.44) MEN1KMT2AGAACHRNA7HTR3E

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
WO-2006045246-A1 CYCLOPENTANE CARBOXYLATE COMPOUNDS, PROCESS AND INTERMEDIATES FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2006-05-04 WO disclosed