SCHEMBL7379002

SCHEMBL7379002

CCCCOCCCCOc1ccc(C[C](C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
CYP2D6 P10635 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.55
PDE4A P27815 1/20 0.55
HIF1A Q16665 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
PLA2G4B P0C869 1/20 0.52
NR5A1 Q13285 1/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51

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
SCHEMBL3027940 0.93 NR5A1 (0.59) SMN1; SMN2CYP2D6KDM4ECYP1A2PDE4A
SCHEMBL27774512 0.93 KDM4E (0.62) SMN1; SMN2CYP2D6KDM4ECYP1A2PDE4A
SCHEMBL8860730 0.91 NR5A1 (0.62) SMN1; SMN2CYP2D6KDM4ECYP1A2PDE4A
SCHEMBL22589086 0.79 MEN1 (0.63) SMN1; SMN2PLA2G4BNR5A1ALDH1A1LMNA
SCHEMBL13106423 0.79 LMNA (0.55) SMN1; SMN2NR5A1ALDH1A1LMNAMEN1
SCHEMBL2669633 0.79 ALDH1A1 (0.58) SMN1; SMN2CYP2D6KDM4ECYP1A2PDE4A
SCHEMBL8347541 0.79 KDM4E (0.68) SMN1; SMN2CYP2D6KDM4ECYP1A2PDE4A
SCHEMBL6650453 0.77 NQO1 (0.61) SMN1; SMN2KDM4ECYP1A2ALDH1A1LMNA
SCHEMBL10629620 0.77 RARB (0.64) SMN1; SMN2CYP2D6KDM4ENR5A1ALDH1A1
SCHEMBL8862587 0.77 FFAR1 (0.63) PLA2G4BLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed