SCHEMBL2198280

SCHEMBL2198280

O=C(O)CCCCCNC1CCCCC(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
HTR2C P28335 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PRMT1 Q99873 1/20 0.37
EPHX2 P34913 2/20 0.35
ADRA1A P35348 1/20 0.35
MAPK1 P28482 1/20 0.35
NCOR2 Q9Y618 2/20 0.35
ABL1 P00519 1/20 0.35
IDE P14735 1/20 0.35
PPARG P37231 1/20 0.35
RIN1 Q13671 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL3137182 1.00 EPHX1 (0.43) EPHX1HTR2CSLC6A3PRMT1EPHX2
SCHEMBL1995279 0.99 EPHX1 (0.45) EPHX1HTR2CSLC6A3PRMT1EPHX2
Oleic Acid SCHEMBL9576604 0.83 SLC6A5 (0.47) EPHX2PPARGLMNA
SCHEMBL11130067 0.81 GBA1 (0.33)
SCHEMBL19510090 0.77 EPHX1 (0.43) EPHX1HTR2CSLC6A3PRMT1EPHX2
SCHEMBL27934156 0.75 EPHX1 (0.44) EPHX1HTR2CSLC6A3PRMT1EPHX2
Adipic Acid SCHEMBL4902906 0.74 ITGB1 (0.47) EPHX1MAPK1NCOR2ABL1IDE
SCHEMBL6664493 0.71 EPHX1 (0.66) EPHX1HTR2CSLC6A3PRMT1EPHX2
SCHEMBL9766529 0.71 EPHX1 (0.66) EPHX1HTR2CSLC6A3PRMT1EPHX2
SCHEMBL6260014 0.71 EPHX1 (0.66) EPHX1HTR2CSLC6A3PRMT1EPHX2

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-7977449-B2 Polyamide piece reinforced with long fibers RHODIA ENGINEERING PLASTICS S.R.L. (IT) 2011-07-12 US claimed