SCHEMBL3664544

SCHEMBL3664544

CCC(C)CCCCNC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
EPHX1 P07099 7/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DPP7 Q9UHL4 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
RRM1 P23921 1/20 0.35
FOLH1 Q04609 1/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL23901022 0.94 CYP2D6 (0.41) MEN1KMT2ACYP2D6CYP2C19ACE2
SCHEMBL6722031 0.85 CYP2D6 (0.44) CYP2D6CYP2C19ACE2SMN1; SMN2USP2
SCHEMBL9968738 0.82 KDM4E (0.61) MEN1KMT2AACE2EPHX1KDM4E
SCHEMBL23559874 0.82 KDM4E (0.61) MEN1KMT2AACE2EPHX1KDM4E
SCHEMBL18723007 0.82 ACHE (0.46) EPHX1
SCHEMBL10141101 0.81 CYP2D6 (0.50) MEN1KMT2ACYP2D6CYP2C19EPHX1
SCHEMBL23442922 0.81 GNAI3 (0.45) MEN1KMT2ACYP2D6CYP2C19ACE2
SCHEMBL18827304 0.81 GNAI3 (0.41) MEN1KMT2AACE2EPHX1DPP7
SCHEMBL19468486 0.79 CYP2D6 (0.48) MEN1KMT2ACYP2D6CYP2C19EPHX1
SCHEMBL19468487 0.79 CYP2D6 (0.48) MEN1KMT2ACYP2D6CYP2C19EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227451-A2 CURABLE ALKOXYCARBONYLAMINO COMPOSITIONS, COATINGS, AND METHODS BASF Coatings GmbH (DE) 2010-09-15 EP disclosed
WO-2009088834-A2 CURABLE ALKOXYCARBONYLAMINO COMPOSITIONS, COATINGS, AND METHODS BASF CORPORATION (US) 2009-07-16 WO disclosed