SCHEMBL17624932

SCHEMBL17624932

CCCCCNC(=O)C(CC)CCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.59
DPP7 Q9UHL4 2/20 0.58
TSHR P16473 1/20 0.57
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
RRM1 P23921 1/20 0.53
EPHX1 P07099 6/20 0.50
GNAI3 P08754 1/20 0.50
GNAO1 P09471 1/20 0.50
GNAI1 P63096 1/20 0.50
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL26478805 0.98 USP2 (0.58) USP2DPP7TSHRCA1CA2
SCHEMBL9676595 0.98 USP2 (0.58) USP2DPP7TSHRCA1CA2
SCHEMBL23140154 0.94 USP2 (0.61) USP2DPP7TSHRCA1CA2
SCHEMBL22414705 0.92 USP2 (0.69) USP2DPP7TSHRCA1CA2
SCHEMBL24072868 0.92 DPP7 (0.61) USP2DPP7TSHRRRM1EPHX1
SCHEMBL13609211 0.88 USP2 (0.68) USP2DPP7TSHRRRM1EPHX1
SCHEMBL26133522 0.87 GNAI3 (0.57) USP2DPP7RRM1EPHX1GNAI3
SCHEMBL5491789 0.86 USP2 (0.71) USP2DPP7TSHRCA1CA2
SCHEMBL12769547 0.86 TSHR (0.64) USP2DPP7TSHRCA1CA2
SCHEMBL25405485 0.86 HDAC7 (0.56) USP2DPP7TSHRCA1CA2

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
WO-2016044585-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed