SCHEMBL6934770

SCHEMBL6934770

CCCCC(=O)Nc1ccccc1N(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.61
TSHR P16473 3/20 0.58
POLB P06746 1/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
SOAT1 P35610 2/20 0.54
HTT P42858 1/20 0.52
NCOA1 Q15788 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
KCNQ2 O43526 1/20 0.52
MAPK1 P28482 2/20 0.51
HDAC3 O15379 2/20 0.51
GLA P06280 1/20 0.51
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50

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
SCHEMBL18248481 0.94 CETP (0.63) CETPTSHRKDM4EALDH1A1GAA
SCHEMBL17703665 0.87 CETP (0.57) CETPTSHRPOLBATML3MBTL1
SCHEMBL29952838 0.86 HDAC3 (0.53) TSHRKDM4EALDH1A1GAAHPGD
SCHEMBL29951577 0.86 GAA (0.51) KDM4EGAAHTTKCNQ2HDAC3
SCHEMBL12456983 0.83 CETP (0.53) CETPTSHRPOLBATML3MBTL1
SCHEMBL9549399 0.83 CETP (0.65) CETPTSHRSOAT1HDAC3HDAC4
SCHEMBL29951744 0.83 CYP2C19 (0.56) POLBL3MBTL1KDM4EGAAKCNQ2
SCHEMBL18248570 0.81 CETP (0.62) CETPTSHRPOLBATML3MBTL1
SCHEMBL7516912 0.80 SOAT1 (0.63) CETPTSHRPOLBATML3MBTL1
SCHEMBL10525639 0.80 CETP (0.60) CETPTSHRSOAT1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370255-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-12-17 EP disclosed
WO-2002009686-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2002-02-07 WO disclosed