SCHEMBL8043766

SCHEMBL8043766

COc1[c]ccc(NC(=O)C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.45
LCK P06239 1/20 0.43
CTSL P07711 1/20 0.43
PTPRC P08575 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
CTSS P25774 1/20 0.43
PTPN13 Q12923 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL1743263 0.83 SMN1; SMN2 (0.46) MAPTALDH1A1CYP1A2POLB
SCHEMBL28185162 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EGAACA12CA1
SCHEMBL8043762 0.77 MTNR1B (0.52) LMNAMAPTALDH1A1PTPRCMEN1
SCHEMBL10344871 0.77 L3MBTL1 (0.55) L3MBTL1NPSR1LMNAMAPTALDH1A1
SCHEMBL1743175 0.75 PLAU (0.33) MAPTALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL5255920 0.74
SCHEMBL8102792 0.73 CYP1A2 (0.73) L3MBTL1LMNAMAPTALDH1A1MEN1
SCHEMBL4837973 0.73 SNCA (0.33)
SCHEMBL306383 0.72 PDK1 (0.71) NPSR1LMNAMAPTALDH1A1MEN1
SCHEMBL1977535 0.71 ALDH1A1 (0.36) NPSR1LMNAMAPTALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000045-A1 1,4-DISUBSTITUTED PIPERAZINES RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2000-05-17 EP claimed
WO-1999006382-A1 1,4-DISUBSTITUTED PIPERAZINES RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-02-11 WO claimed
EP-1000045-A1 1,4-DISUBSTITUTED PIPERAZINES RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2000-05-17 EP disclosed
WO-1999006382-A1 1,4-DISUBSTITUTED PIPERAZINES RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-02-11 WO disclosed