SCHEMBL7104449

SCHEMBL7104449

COc1ccc(C2CCC(CC(C)=O)C2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
GAA P10253 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HIF1A Q16665 1/20 0.39
QDPR P09417 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7098998 0.87 RORC (0.44) GAAMRGPRX4MEN1KMT2AALDH1A1
SCHEMBL17731234 0.82 MRGPRX4 (0.48) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL7097124 0.78 APP (0.59) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL25309520 0.78 QDPR (0.45) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL7098406 0.76 SLC9A1 (0.42) POLBTP53
SCHEMBL20852873 0.75 IDO1 (0.63) KMT2AALDH1A1SMN1; SMN2
SCHEMBL20838654 0.75 IDO1 (0.63) KMT2AALDH1A1SMN1; SMN2
SCHEMBL17737044 0.75 IDO1 (0.63) KMT2AALDH1A1SMN1; SMN2
SCHEMBL17737411 0.75 IDO1 (0.63) KMT2AALDH1A1SMN1; SMN2
SCHEMBL7103500 0.74 ESR2 (0.53)

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-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 WO disclosed