SCHEMBL2874757

SCHEMBL2874757

CCOP(=O)(C/C=C/c1ccccc1)OCC.[Fe]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.49
NPSR1 Q6W5P4 2/20 0.42
RELA Q04206 1/20 0.42
KCNH2 Q12809 1/20 0.41
IDO1 P14902 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PAM P19021 1/20 0.41
AOX1 Q06278 1/20 0.40
POLB P06746 1/20 0.39
ACHE P22303 1/20 0.39
HTR2A P28223 3/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3291420 0.98 NR1I2 (0.50) NR1I2NPSR1RELAKCNH2IDO1
SCHEMBL3291424 0.98 NR1I2 (0.50) NR1I2NPSR1RELAKCNH2IDO1
SCHEMBL20710770 0.88 NR1I2 (0.44) NR1I2NPSR1RELAKCNH2IDO1
SCHEMBL13142763 0.87 NR1I2 (0.46) NR1I2NPSR1RELAKCNH2MEN1
SCHEMBL13142780 0.83 MAOB (0.39) NR1I2RELAKMT2AMAPTKDM4E
SCHEMBL3781100 0.82 MAOB (0.40) NR1I2KCNH2MEN1KMT2APOLB
SCHEMBL3781097 0.82 MAOB (0.40) NR1I2KCNH2MEN1KMT2APOLB
SCHEMBL3771665 0.81 CCNB2 (0.45) NR1I2
SCHEMBL3764325 0.81 RELA (0.42) NR1I2RELAMAPTHTT
SCHEMBL3764328 0.81 RELA (0.42) NR1I2RELAMAPTHTT

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-2010129623-A2 PROCESS FOR REDUCING RESIDUAL SURFACE MATERIAL FROM POROUS POLYMERS SUNSTORM RESEARCH CORPORATION (US) 2010-11-11 WO disclosed