SCHEMBL5314830

SCHEMBL5314830

CC1(C)CC1C(=O)OCCCl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL294867 0.82 PPM1B (0.42) ALDH1A1
SCHEMBL5314814 0.80 TSHR (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL5315160 0.80 PPM1B (0.31) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10836923 0.78 ACHE (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL9670600 0.78 ALDH1A1 (0.47) ALDH1A1L3MBTL1
SCHEMBL10835159 0.77 EPHX2 (0.31)
SCHEMBL10835432 0.77 ALDH1A1 (0.45) CHRNB2CHRNA3CHRNA4ALDH1A1
SCHEMBL294716 0.77 LMNA (0.43) ALDH1A1
SCHEMBL5318331 0.74 CHRM2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL293438 0.72 TSHR (0.39) ALDH1A1

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-2007069841-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE CYCLOPROPANE CARBOXAMIDE AND DERIVATIVES THEREOF CHOONGWAE PHARMA CORPORATION (KR) 2007-06-21 WO disclosed