SCHEMBL10396129

SCHEMBL10396129

NNC(=O)CC(=O)N(N)CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.44
EPHX1 P07099 3/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM5A P29375 2/20 0.32
PHF8 Q9UPP1 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM4A O75164 1/20 0.32
EPHX2 P34913 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 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
SCHEMBL27843733 0.80 ALOX5 (0.48) ALOX5EPHX1HPGDKMT2ACYP2D6
SCHEMBL16054265 0.74 ALOX5 (0.47) ALOX5CYP2D6
SCHEMBL4429615 0.71 ALOX5 (0.52) ALOX5EPHX1HPGDKMT2ACYP2D6
SCHEMBL14606389 0.71 KMT2A (0.61) EPHX1HPGDKMT2AEPHX2CA2
SCHEMBL12467463 0.71 KMT2A (0.61) EPHX1HPGDKMT2AEPHX2CA2
SCHEMBL24235893 0.71 KMT2A (0.61) EPHX1HPGDKMT2AEPHX2CA2
SCHEMBL23624679 0.71 KMT2A (0.61) EPHX1HPGDKMT2AEPHX2CA2
SCHEMBL2825190 0.71 KMT2A (0.61) EPHX1HPGDKMT2AEPHX2CA2
SCHEMBL14456383 0.71 KMT2A (0.61) EPHX1HPGDKMT2AEPHX2CA2
SCHEMBL967058 0.69 KMT2A (0.57) EPHX1HPGDKMT2ACYP2D6EPHX2

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-4904724-A FREE RADICAL POLYMERIZATION OF CI-C20-ALKYL(METH)ACRYLATE AND UNSATURATED MONOMERS BASF AKTIENGESELLSCHAFT (DE) 1990-02-27 US disclosed