SCHEMBL4022728

SCHEMBL4022728

C=CC(=O)NCCc1c(C)[nH]c2c(F)ccc(C)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MTNR1A P48039 6/20 0.38
MTNR1B P49286 6/20 0.38
BTK Q06187 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
PABPC1 P11940 1/20 0.34
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
P2RX7 Q99572 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TGM2 P21980 1/20 0.32

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
SCHEMBL4015068 0.84 MEN1 (0.44) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL4017528 0.82 MEN1 (0.49) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL4017819 0.82 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4017359 0.82 MEN1 (0.49) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL4017825 0.82 MMP1 (0.50) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL13980155 0.82 KMT2A (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL4222194 0.82 KMT2A (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL4015839 0.82 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4014345 0.82 MMP1 (0.48) MEN1KMT2A
SCHEMBL4017820 0.82 MAPT (0.50) MEN1KMT2ACYP1A2CYP2C19MAPT

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
EP-2014287-A1 Use of cinnamic acid derivatives as modulators of an EP2 receptor Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-14 EP disclosed
EP-2014287-A1 Use of cinnamic acid derivatives as modulators of an EP2 receptor Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-14 EP disclosed
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