SCHEMBL4449358

SCHEMBL4449358

CN(C)CC(=O)CC(N)=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL6704974 0.83 EGFR (0.32) MAPTKDM4EUSP2ALDH1A1TDP1
SCHEMBL8520017 0.79 KDM4E (0.30) KDM4EGMNNUSP2ALDH1A1LMNA
SCHEMBL138662 0.77
SCHEMBL2111443 0.76 TDP1 (0.35) MAPTKDM4EUSP2ALDH1A1LMNA
SCHEMBL7000619 0.76 LDHA (0.42) KDM4EUSP2ALDH1A1LMNAALOX15
SCHEMBL7622686 0.75 ALDH1A1 (0.35) MAPTKDM4EALDH1A1LMNACYP3A4
Hydrochloric Acid SCHEMBL2860597 0.75
Bromide SCHEMBL5886352 0.75
SCHEMBL6753687 0.75
Hydrochloric Acid SCHEMBL891026 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8632701-B2 Proton conductive hybrid material, and catalyst layer for fuel cell using the same THE UNIVERSITY OF TOKYO (JP) 2014-01-21 US disclosed
CN-103503121-A Material for forming passivation film for semiconductor substrate, passivation film for semiconductor substrate and method for manufacturing same, and solar cell element and method for manufacturing same HITACHI CHEMICAL CO LTD 2014-01-08 CN disclosed
US-20090220840-A1 PROTON CONDUCTIVE HYBRID MATERIAL, AND CATALYST LAYER FOR FUEL CELL USING THE SAME THE UNIVERSITY OF TOKYO (JP) 2009-09-03 US disclosed
EP-1942507-A1 PROTON CONDUCTIVE HYBRID MATERIAL, AND CATALYST LAYER FOR FUEL CELL USING THE SAME The University of Tokyo (JP) 2008-07-09 EP disclosed