SCHEMBL9256335

SCHEMBL9256335

CCOC(=O)C(CCO)CCCN

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.60
CYP1A2 P05177 1/20 0.46
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ALOX15 P16050 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
CAD P27708 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL5201455 0.87 CPB2 (0.62) CPB2CYP1A2CYP4F2CYP4A11ALOX15
SCHEMBL5169717 0.86 CPB2 (0.47) CPB2CYP4F2CYP4A11ALOX15CA1
SCHEMBL14747695 0.85 CPB2 (0.64) CPB2CYP1A2ALOX15CA1CA2
SCHEMBL5701949 0.82 CPB2 (0.47) CPB2CYP1A2CYP4F2CYP4A11ALOX15
SCHEMBL1101304 0.81 CPB2 (0.51) CPB2CA1CA2
SCHEMBL15903942 0.81 CPB2 (0.51) CPB2CA1CA2
SCHEMBL15903982 0.81 CPB2 (0.51) CPB2CA1CA2
SCHEMBL11128494 0.81 CPB2 (0.51) CPB2CA1CA2
SCHEMBL28448275 0.81 CPB2 (0.51) CPB2CA1CA2
Acetic Acid SCHEMBL1820606 0.80 ALDH1A1 (0.42) CPB2ALOX15KMT2AMEN1NPC1

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
US-5468746-A A dicarboxy-4-aryldihydropyridine ZAMBON GROUP S.P.A. (IT) 1995-11-21 US disclosed