SCHEMBL9356016

SCHEMBL9356016

CCOC(=O)c1ccc(OCc2ccc(OC)cc2)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
MAPT P10636 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B2 P37059 1/20 0.57
MAOB P27338 1/20 0.57
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
HPGD P15428 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.56
KMT2A Q03164 1/20 0.54
TNFRSF1A P19438 1/20 0.52
TSHR P16473 2/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
NOX1 Q9Y5S8 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
SCHEMBL12968393 0.96 MAOB (0.58) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL18707241 0.89 SMN1; SMN2 (0.55) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL340393 0.88 SMN1; SMN2 (0.72) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL7469156 0.88 SMN1; SMN2 (0.55) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL9732613 0.86 MAOB (0.58) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL18707172 0.85 SMN1; SMN2 (0.56) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL9597843 0.85 SMN1; SMN2 (0.55) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL20456200 0.85 SMN1; SMN2 (0.56) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL9360159 0.84 MRGPRX4 (0.78) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL13413496 0.84 MAPT (0.66) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416410-B1 Piperaziniocephalosporins SHIONOGI & CO (JP) 1994-11-30 EP disclosed
US-5143910-A PIPERAZINIOCEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1992-09-01 US disclosed
EP-0416410-A1 Piperaziniocephalosporins SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1991-03-13 EP disclosed