SCHEMBL8928172

SCHEMBL8928172

CC(O)CN(CCNC(=O)O)CCN(CC(C)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 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
SCHEMBL8928181 0.74 REN (0.41) KMT2AATM
SCHEMBL8928176 0.73 CYP2D6 (0.31) CYP2D6CYP2C19
SCHEMBL17870797 0.71 TP53 (0.38) KMT2AATM
SCHEMBL5475298 0.71 TP53 (0.38) KMT2AATM
SCHEMBL9467781 0.70 KDM4E (0.36)
SCHEMBL15552357 0.69 CA12 (0.44) CYP2D6CYP2C19KMT2A
SCHEMBL6260966 0.66 KDM4E (0.38) KMT2AATM
SCHEMBL1446865 0.66 KDM4E (0.38) KMT2AATM
SCHEMBL24090688 0.66 TDP1 (0.42) CYP2C19KMT2AATM
SCHEMBL2835194 0.66 ALDH1A1 (0.49) CYP2D6CYP2C19KMT2AATM

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
EP-0495269-B1 Thermosetting reactive resin mixture, moulded article and coating made therefrom DAINIPPON INK & CHEMICALS (JP) 1997-03-05 EP disclosed
US-5292833-A Polyepoxide compound, carbamate compound and catalyst DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-03-08 US disclosed
WO-1992012192-A2 THERMOSETTING REACTIVE RESIN MIXTURE, MOULDED ARTICLE AND COATING MADE THEREFROM DAINIPPON INK & CHEMICALS, INC. (JP) 1992-07-23 WO disclosed
EP-0495269-A2 Thermosetting reactive resin mixture, moulded article and coating made therefrom DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-07-22 EP disclosed