SCHEMBL6060883

SCHEMBL6060883

CC1(C2(C(=O)O)CCCC2OC(=O)c2ccccc2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRNA7 P36544 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
TSHR P16473 1/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6060103 0.99 GAA (0.46) GAAKMT2AMEN1CHRM2CHRM4
SCHEMBL6060949 0.83 MEN1 (0.40) GAAKMT2AMEN1CHRM2CHRM4
SCHEMBL6060392 0.80 SCN1A (0.40) GAAKMT2AMEN1CHRM2CHRM4
SCHEMBL6060024 0.79 CYP3A4 (0.35) TDP1PTPN1
SCHEMBL6060434 0.77 CYP3A4 (0.34) TDP1PTPN1
SCHEMBL4809454 0.76 MEN1 (0.46) GAAKMT2AMEN1CHRM2CHRM4
SCHEMBL5501580 0.75 CHRNA7 (0.44) GAAKMT2AMEN1CHRM2CHRM4
SCHEMBL27623429 0.75 CHRNA7 (0.44) GAAKMT2AMEN1CHRM2CHRM4
SCHEMBL5500525 0.75 CHRNA7 (0.44) GAAKMT2AMEN1CHRM2CHRM4
SCHEMBL10481760 0.73 AKR1C1 (0.41) GAAKMT2AMEN1CHRM2CHRM4

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