SCHEMBL4754752

SCHEMBL4754752

Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)C=Cc1cc(F)c(CO)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC4 P56524 4/20 0.36
MEF2D Q14814 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX5 P09917 1/20 0.35
MMP1 P03956 1/20 0.35
POLB P06746 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
RECQL P46063 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35

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
SCHEMBL4669576 1.00 MEN1 (0.43) MEN1KMT2AHDAC4MEF2DCYP1A2
SCHEMBL4015839 0.90 MEN1 (0.44) MEN1KMT2AHDAC4MEF2DMMP1
SCHEMBL4015068 0.90 MEN1 (0.44) MEN1KMT2AHDAC4MEF2DCYP1A2
SCHEMBL4016848 0.90 MEN1 (0.44) MEN1KMT2AHDAC4MEF2DCYP1A2
SCHEMBL4019849 0.90 MEN1 (0.44) MEN1KMT2AHDAC4MEF2DCYP1A2
SCHEMBL4017825 0.87 MMP1 (0.50) MEN1KMT2AHDAC4MEF2DMMP1
SCHEMBL4017819 0.87 MEN1 (0.47) MEN1KMT2AHDAC4MMP1POLB
SCHEMBL4669526 0.86 APP (0.42) MEN1KMT2AHDAC4MEF2DMMP1
SCHEMBL4014345 0.86 MMP1 (0.48) MEN1KMT2AMMP1MMP2MMP9
SCHEMBL4017820 0.86 MAPT (0.50) MEN1KMT2ACYP1A2CYP2C19POLB

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