SCHEMBL8439733

SCHEMBL8439733

CC[N+]([O-])=C1CCCC1Oc1cc(O)c2c(=O)cc(-c3ccc(OC)c(OC4CCCC4)c3)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 5/20 0.50
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
CYP1A1 P04798 4/20 0.46
CYP1A2 P05177 4/20 0.46
KDM1A O60341 3/20 0.46
MAPT P10636 3/20 0.46
IP6K2 Q9UHH9 3/20 0.46
ALDH1A1 P00352 3/20 0.46
ABCC1 P33527 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
POLB P06746 2/20 0.46
XDH P47989 1/20 0.46
IPMK Q8NFU5 1/20 0.46
EPHX2 P34913 1/20 0.45
PDE4A P27815 1/20 0.43
PLG P00747 1/20 0.43
TP53 P04637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
USP2 O75604 2/20 0.42

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
SCHEMBL7313615 0.86 CYP1B1 (0.57) CYP1B1MEN1KMT2ACYP1A1CYP1A2
SCHEMBL7315584 0.85 CYP1B1 (0.52) CYP1B1MEN1KMT2ACYP1A1CYP1A2
SCHEMBL7313529 0.84 CYP1B1 (0.51) CYP1B1MEN1KMT2ACYP1A1CYP1A2
SCHEMBL8441273 0.81 CYP1B1 (0.52) CYP1B1MEN1KMT2ACYP1A1CYP1A2
SCHEMBL7306024 0.81 CYP1B1 (0.76) CYP1B1MEN1KMT2ACYP1A1CYP1A2
SCHEMBL7306096 0.79 CYP1B1 (0.56) CYP1B1MEN1KMT2ACYP1A1CYP1A2
SCHEMBL7308871 0.79 CYP1B1 (0.56) CYP1B1MEN1KMT2ACYP1A1CYP1A2
SCHEMBL7316873 0.78 CYP1B1 (0.57) CYP1B1MEN1KMT2ACYP1A1CYP1A2
SCHEMBL7303645 0.78 CYP1B1 (0.57) CYP1B1MEN1KMT2ACYP1A1CYP1A2
SCHEMBL7306671 0.78 CYP1B1 (0.57) CYP1B1MEN1KMT2ACYP1A1CYP1A2

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-5889003-A PHOSPHODIESTERASE INHIBITOR ADIR ET COMPAGNIE (FR) 1999-03-30 US disclosed