SCHEMBL4017528

SCHEMBL4017528

Cc1ccccc1/C=C/C(=O)NCCc1c(C)[nH]c2c(F)ccc(C)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.43
LMNA P02545 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 4/20 0.40
PKM P14618 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MMP1 P03956 1/20 0.37
POLB P06746 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HDAC4 P56524 2/20 0.36

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
SCHEMBL4017359 0.94 MEN1 (0.49) MEN1KMT2AGAALMNANPC1
SCHEMBL13982583 0.92 MEN1 (0.48) MEN1KMT2AGAALMNANPC1
SCHEMBL4017822 0.91 GAA (0.55) MEN1KMT2AGAALMNANPC1
SCHEMBL13982460 0.91 MEN1 (0.47) MEN1KMT2AGAALMNANPC1
SCHEMBL4017825 0.90 MMP1 (0.50) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL4755471 0.89 MEN1 (0.46) MEN1KMT2AGAALMNANPC1
SCHEMBL4669261 0.89 ALDH1A1 (0.48) MEN1KMT2AGAALMNANPC1
SCHEMBL4017363 0.89 MEN1 (0.62) MEN1KMT2AGAALMNANPC1
SCHEMBL4669267 0.89 MEN1 (0.46) MEN1KMT2AGAALMNANPC1
SCHEMBL4667926 0.88 MEN1 (0.45) MEN1KMT2AGAALMNANPC1

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