SCHEMBL27675212

SCHEMBL27675212

CN1CCC[C@H](CC(C)(C)C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2D6 P10635 2/20 0.35
SIGMAR1 Q99720 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 2/20 0.33
ABCB11 O95342 1/20 0.33

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
SCHEMBL5747108 0.80 GNAI3 (0.43) ALDH1A1HRH3CHRM3ITGB3ITGA2B
SCHEMBL7860170 0.80 GFER (0.39) GFERSMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL15142807 0.80 SMN1; SMN2 (0.45) GFERSMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL15142809 0.80 SMN1; SMN2 (0.45) GFERSMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL2607208 0.80 SMN1; SMN2 (0.45) GFERSMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL12369696 0.79 CHRM2 (0.39) GFERSMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL12449636 0.79 CHRM2 (0.39) GFERSMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL1682650 0.79 GRM2 (0.43) SMN1; SMN2LMNACYP2C19HSD17B10CYP2D6
SCHEMBL12449638 0.79 CHRM2 (0.39) GFERSMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL19814985 0.79 GRM2 (0.40) SMN1; SMN2LMNACYP2C19HSD17B10ALDH1A1

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-1934082-A Organic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-21 CN disclosed