SCHEMBL7916017

SCHEMBL7916017

Bc1cccc(-c2c(OC)ccc(Cc3ccc(NC(=O)NCCC(=O)O)cc3)c2F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.40
S1PR1 P21453 1/20 0.40
POLB P06746 2/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
FPR2 P25090 2/20 0.38
PDE4D Q08499 1/20 0.37
ROCK2 O75116 1/20 0.37
RAB9A P51151 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
FFAR1 O14842 3/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3466921 0.90 CNR1 (0.40) CNR1S1PR1POLBKMT2AMEN1
SCHEMBL3466417 0.81 ALDH1A1 (0.40) CNR1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL3467147 0.80 ALDH1A1 (0.40) CNR1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL8024453 0.75 ALDH1A1 (0.43) POLBKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL3467808 0.75 PPID (0.41) POLBKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL7914919 0.74 PDE4D (0.53) CNR1POLBKMT2AMEN1MAPT
SCHEMBL3467918 0.74 ALDH1A1 (0.43) POLBKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL3790847 0.73 PDE4D (0.68) CNR1POLBKMT2AMEN1MAPT
SCHEMBL7916008 0.73 PDE4D (0.52) CNR1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL3785808 0.73 PDE4D (0.52) CNR1POLBKMT2AMEN1SMN1; SMN2

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
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed