SCHEMBL4786522

SCHEMBL4786522

CCOC(=O)c1nc(C)oc1-c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.55
TRPM8 Q7Z2W7 1/20 0.53
GABRA2 P47869 2/20 0.51
GABRB2 P47870 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
TARBP2 Q15633 2/20 0.49
ALDH1A1 P00352 2/20 0.46
ALOX12 P18054 1/20 0.46
ELANE P08246 1/20 0.46
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FPR2 P25090 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL4738316 0.87 TARBP2 (0.48) L3MBTL1TARBP2ALDH1A1ELANEJAK2
SCHEMBL1340374 0.85 TRPM8 (0.53) TRPM8L3MBTL1TARBP2ALDH1A1ELANE
SCHEMBL4743899 0.84 TARBP2 (0.64) ALOX5TRPM8GABRA2GABRB2TARBP2
SCHEMBL1968359 0.84 TARBP2 (0.59) TRPM8GABRA2GABRB2L3MBTL1TARBP2
SCHEMBL1969979 0.84 TARBP2 (0.50) TARBP2ALDH1A1ELANEKDM4EHPGD
SCHEMBL9750650 0.83 ALOX5 (0.48) ALOX5TRPM8GABRA2GABRB2L3MBTL1
SCHEMBL1166739 0.83 PIN1 (0.56) L3MBTL1ALDH1A1KMT2AFPR2
SCHEMBL1965950 0.82 MEN1 (0.55) TARBP2ALDH1A1MAPTKDM4EHPGD
SCHEMBL27900801 0.80 PIN1 (0.40) ALOX5TRPM8GABRA2GABRB2L3MBTL1
SCHEMBL1545025 0.80 L3MBTL1 (0.53) ALOX5TRPM8GABRA2GABRB2L3MBTL1

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-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 WO disclosed