SCHEMBL5821091

SCHEMBL5821091

CCCCNC(=O)C(CCC)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.56
FNTB P49356 1/20 0.56
DPP7 Q9UHL4 2/20 0.50
MMP8 P22894 1/20 0.47
RRM1 P23921 1/20 0.46
EPHX1 P07099 4/20 0.45
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
LMNA P02545 1/20 0.43
PAX8 Q06710 1/20 0.43
NOD1 Q9Y239 1/20 0.43
NAAA Q02083 2/20 0.42
ACHE P22303 1/20 0.42
MMP2 P08253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 1/20 0.41
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL1489369 0.85 FNTA (0.66) FNTAFNTBDPP7MMP8RRM1
SCHEMBL10769018 0.81 MMP8 (0.51) FNTAFNTBDPP7MMP8RRM1
SCHEMBL1258601 0.80 GNAI3 (0.56) FNTAFNTBDPP7MMP8RRM1
SCHEMBL25405485 0.79 HDAC7 (0.56) FNTAFNTBDPP7RRM1EPHX1
SCHEMBL18542819 0.78 DPP7 (0.49) FNTAFNTBDPP7MMP8RRM1
SCHEMBL20503323 0.78 FNTA (0.68) FNTAFNTBDPP7MMP8RRM1
SCHEMBL17070909 0.78 DPP7 (0.53) FNTAFNTBDPP7MMP8RRM1
SCHEMBL27991817 0.78 FNTA (0.49) FNTAFNTBDPP7MMP8RRM1
SCHEMBL6943898 0.78 DPP7 (0.52) DPP7RRM1EPHX1GNAI3GNAO1
SCHEMBL9462370 0.78 DPP7 (0.52) DPP7MMP8RRM1EPHX1GNAI3

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-2006113606-A2 HISTONE DEACETYLASE INHIBITORS JOHNS HOPKINS UNIVERSITY (US) 2006-10-26 WO disclosed