SCHEMBL10399741

SCHEMBL10399741

CCNC(=O)NCCCCCCNC(=O)NCC

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.73
EPHX2 P34913 5/20 0.61
PRMT1 Q99873 1/20 0.56
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CNR2 P34972 1/20 0.49
CASP2 P42575 1/20 0.46

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
SCHEMBL14198101 0.97 EPHX1 (0.68) EPHX1EPHX2PRMT1KDM4EMAPK1
SCHEMBL8392636 0.93 EPHX1 (0.86) EPHX1EPHX2CASP2
SCHEMBL8391736 0.93 EPHX1 (0.86) EPHX1EPHX2CASP2
SCHEMBL8848185 0.93 EPHX1 (0.86) EPHX1EPHX2CASP2
SCHEMBL25270954 0.93 EPHX1 (0.86) EPHX1EPHX2CASP2
SCHEMBL25227718 0.93 EPHX1 (0.86) EPHX1EPHX2CASP2
SCHEMBL11236288 0.93 EPHX1 (0.86) EPHX1EPHX2CASP2
SCHEMBL25274521 0.93 EPHX1 (0.86) EPHX1EPHX2CASP2
SCHEMBL8392235 0.93 EPHX1 (0.86) EPHX1EPHX2CASP2
SCHEMBL25836841 0.93 EPHX1 (0.86) EPHX1EPHX2CASP2

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
US-4929724-A PHOSPHOROUS-NITROGEN DIMERIZATION CATALYSTS BAYER AKTIENGESELLSCHAFT (DE) 1990-05-29 US disclosed