SCHEMBL20104017

SCHEMBL20104017

C=C1CCCC[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MCL1 Q07820 1/20 0.40
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SIRT1 Q96EB6 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL5251694 1.00 KDM4E (0.42) KDM4EPOLBL3MBTL1MCL1MAPK1
SCHEMBL6622419 0.93
SCHEMBL9184577 0.83
SCHEMBL10284785 0.80 SIRT1 (0.37) KDM4EPOLBL3MBTL1MCL1MAPK1
SCHEMBL15414620 0.74 KDM4E (0.43) KDM4EPOLBL3MBTL1MCL1MAPK1
SCHEMBL3553694 0.74 MCL1 (0.60) KDM4EPOLBL3MBTL1MCL1MAPK1
SCHEMBL612494 0.74 MCL1 (0.60) KDM4EPOLBL3MBTL1MCL1MAPK1
SCHEMBL7353241 0.73 MCL1 (0.58) KDM4EPOLBL3MBTL1MCL1MAPK1
SCHEMBL22570984 0.73
SCHEMBL3076529 0.73 KDM4E (0.42) KDM4EPOLBL3MBTL1MCL1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed