SCHEMBL17049040

SCHEMBL17049040

CCCCC1(C(=O)O)CCC(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.39
CETP P11597 4/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP19A1 P11511 3/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL11838266 0.95 SIRT2 (0.39) CPB2CETPSIRT2CYP19A1
SCHEMBL19767 0.89 CPB2 (0.35) CPB2CETPMEN1KMT2A
SCHEMBL481536 0.84 CETP (0.37) CETPMEN1KMT2AHSD17B10
SCHEMBL30538380 0.84 CETP (0.37) CETPMEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL11565328 0.82 CETP (0.36) CETPMEN1KMT2AHSD17B10
SCHEMBL1327047 0.80 CYP2C19 (0.43) CETPMEN1KMT2A
SCHEMBL3953039 0.80 CYP2C19 (0.48) CETPMEN1KMT2A
SCHEMBL165219 0.80 CYP2C19 (0.34) CPB2MEN1KMT2A
SCHEMBL10814480 0.80 SIRT2 (0.39) CETPSIRT2CYP19A1
SCHEMBL28108062 0.80 KMT2A (0.40) MEN1KMT2APKM

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-3110810-A1 PYRAZOLE AMIDE DERIVATIVE Teijin Pharma Limited (JP) 2017-01-04 EP disclosed
WO-2015129926-A1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2015-09-03 WO disclosed