SCHEMBL4668491

SCHEMBL4668491

Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)/C=C/c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
HTT P42858 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAOB P27338 2/20 0.44
THRB P10828 1/20 0.44
HDAC4 P56524 1/20 0.41
MEF2D Q14814 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
MAOA P21397 1/20 0.40
CA12 O43570 1/20 0.39

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
SCHEMBL4752607 1.00 KDM4E (0.48) KDM4EHTTMEN1KMT2AMAPT
SCHEMBL4752230 0.89 HDAC1 (0.44) MEN1KMT2AMAPTMAOB
SCHEMBL4668532 0.89 HDAC1 (0.44) MEN1KMT2AMAPTMAOB
SCHEMBL4018968 0.89 MEN1 (0.44) HTTMEN1KMT2AMAPTLMNA
SCHEMBL4017742 0.88 MMP1 (0.53) MEN1KMT2AHDAC4MEF2DALDH1A1
SCHEMBL4017825 0.87 MMP1 (0.50) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL4667869 0.86 MEN1 (0.42) HTTMEN1KMT2AMAPTLMNA
SCHEMBL4754641 0.86 MEN1 (0.42) HTTMEN1KMT2AMAPTLMNA
SCHEMBL4669534 0.86 HPGD (0.43) HTTMEN1KMT2AMAPTLMNA
SCHEMBL4015839 0.86 MEN1 (0.44) MEN1KMT2AMAPTMAOBHDAC4

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 5 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
EP-2003118-A1 Cinnamic acid derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-17 EP claimed
WO-2008152097-A1 CINNAMIC ACID DERIVATIVES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed
WO-2008152097-A1 CINNAMIC ACID DERIVATIVES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed
EP-2003118-A1 Cinnamic acid derivatives as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-17 EP disclosed