SCHEMBL4754393

SCHEMBL4754393

COC(=O)c1ccc(C=CC(=O)NCCc2c(C)[nH]c3c(F)ccc(C)c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 5/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.38
HDAC3 O15379 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
NLRP3 Q96P20 1/20 0.38
LMNA P02545 4/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 3/20 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
SCHEMBL4669514 1.00 MEN1 (0.46) MEN1KMT2AMAPTCYP1A2POLB
SCHEMBL4752215 0.90 MEN1 (0.43) MEN1KMT2AMAPTCYP1A2POLB
SCHEMBL4668502 0.90 MEN1 (0.43) MEN1KMT2AMAPTCYP1A2POLB
SCHEMBL4015557 0.90 POLB (0.49) MEN1KMT2AMAPTCYP1A2POLB
SCHEMBL4668484 0.90 MEN1 (0.44) MEN1KMT2AMAPTCYP1A2POLB
SCHEMBL4015555 0.90 POLB (0.49) MEN1KMT2AMAPTCYP1A2POLB
SCHEMBL4017819 0.89 MEN1 (0.47) MEN1KMT2AMAPTPOLBHDAC3
SCHEMBL4014345 0.88 MMP1 (0.48) MEN1KMT2A
SCHEMBL4017820 0.88 MAPT (0.50) MEN1KMT2AMAPTCYP1A2POLB
SCHEMBL4017823 0.88 MAPT (0.50) MEN1KMT2AMAPTCYP1A2POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008152097-A1 CINNAMIC ACID DERIVATIVES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
WO-2008152097-A1 CINNAMIC ACID DERIVATIVES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed