SCHEMBL20366188

SCHEMBL20366188

CC(CC(=O)O)CN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.40
PIK3CD O00329 1/20 0.39
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
MEN1 O00255 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
SCHEMBL20366187 0.84 ABCB1 (0.44) ABCB1USP2SMN1; SMN2HTTALDH1A1
SCHEMBL25525616 0.84 USP2 (0.45) ABCB1USP2SMN1; SMN2HTTALDH1A1
SCHEMBL18852406 0.83 PIK3CD (0.58) ABCB1USP2SMN1; SMN2HTTALDH1A1
SCHEMBL1705499 0.82 ALDH1A1 (0.49) ABCB1USP2SMN1; SMN2HTTALDH1A1
SCHEMBL16825817 0.81 USP2 (0.49) ABCB1USP2SMN1; SMN2HTTALDH1A1
SCHEMBL20232006 0.81 USP2 (0.49) ABCB1USP2SMN1; SMN2HTTALDH1A1
SCHEMBL23497107 0.80 USP2 (0.47) ABCB1USP2SMN1; SMN2HTTALDH1A1
SCHEMBL24992871 0.80 USP2 (0.47) ABCB1USP2SMN1; SMN2HTTALDH1A1
SCHEMBL31578946 0.80 USP2 (0.47) ABCB1USP2SMN1; SMN2HTTALDH1A1
SCHEMBL30636043 0.80 USP2 (0.47) ABCB1USP2SMN1; SMN2HTTALDH1A1

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-2018128826-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2018-07-12 WO disclosed