SCHEMBL962087

SCHEMBL962087

CC(C)N(CCC(=O)NN)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.48
KDM4E B2RXH2 2/20 0.43
KDM5C P41229 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 2/20 0.32
CYP2D6 P10635 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
SCHEMBL964734 0.88 CTSD (0.45) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL27793019 0.86 CTSD (0.43) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL4410168 0.77 CTSD (0.46) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL3199251 0.77 GABRP (0.42) KDM4EKDM5CPHF8KDM2AALDH1A1
SCHEMBL2835999 0.75 KMT2A (0.40) MEN1KMT2ATHRATHRBCYP1A2
SCHEMBL519337 0.75
Hydrochloric Acid SCHEMBL7330783 0.75 GABRP (0.41) PHF8KDM2AALDH1A1LMNAMEN1
SCHEMBL27513726 0.75 GABRP (0.41) KDM4EKDM5CPHF8KDM2AALDH1A1
SCHEMBL4413738 0.74 KDM4E (0.52) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL13318882 0.72 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2ATHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2248833-B1 MODIFIED DIENE RUBBER, METHOD FOR PRODUCING THE SAME, RUBBER COMPOSITION USING THE SAME, AND TIRE BRIDGESTONE CORP (JP) 2014-03-26 EP disclosed
US-8389641-B2 Modified diene rubber, production method thereof, and rubber composition and tire using the rubber BRIDGESTONE CORPORATION (JP) 2013-03-05 US disclosed
US-20110003911-A1 MODIFIED DIENE RUBBER, PRODUCTION METHOD THEREOF, AND RUBBER COMPOSITION AND TIRE USING THE RUBBER BRIDGESTONE CORPORATION (JP) 2011-01-06 US disclosed
EP-2248833-A1 MODIFIED DIENE RUBBER, METHOD FOR PRODUCING THE SAME, RUBBER COMPOSITION USING THE SAME, AND TIRE Bridgestone Corporation (JP) 2010-11-10 EP disclosed
US-20100249336-A1 MODIFIED NATURAL RUBBER AND METHOD FOR PRODUCING SAME, AND RUBBER COMPOSITION AND TIRE USING SUCH A MODIFIED NATURAL RUBBER BRIDGESTONE CORPORATION (JP) 2010-09-30 US disclosed
EP-2206730-A1 MODIFIED NATURAL RUBBER, PROCESS FOR PRODUCTION OF THE SAME, AND RUBBER COMPOSITION AND TIRE EACH COMPRISING THE SAME Bridgestone Corporation (JP) 2010-07-14 EP disclosed