SCHEMBL9724712

SCHEMBL9724712

CCCCOC(=O)C(N)C(F)(F)C(O)C(N)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.46
REN P00797 2/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
LTA4H P09960 2/20 0.45
LAP3 P28838 3/20 0.44
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC15A1 P46059 1/20 0.39
CTSK P43235 1/20 0.38
ANPEP P15144 2/20 0.37
RNPEP Q9H4A4 1/20 0.37
DNPEP Q9ULA0 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL10445568 0.85 LTA4H (0.55) TDP1L3MBTL1ALDH1A1MAPK1LTA4H
SCHEMBL7294329 0.81 LTA4H (0.44) TDP1LTA4HLAP3POLBSLC15A1
SCHEMBL8749526 0.81 LAP3 (0.60) CSNK1ERENTSHRTDP1L3MBTL1
SCHEMBL14119782 0.81 LAP3 (0.60) CSNK1ERENTSHRTDP1L3MBTL1
SCHEMBL10432270 0.79 ALPI (0.47) CSNK1ELTA4HLAP3SLC15A1ANPEP
SCHEMBL10432328 0.77 RAB9A (0.49) L3MBTL1ALDH1A1MAPK1LMNANPC1
SCHEMBL216480 0.76 ALPI (0.54) CSNK1ETSHRTDP1L3MBTL1ALDH1A1
SCHEMBL2734875 0.76 ALPI (0.54) CSNK1ETSHRTDP1L3MBTL1ALDH1A1
SCHEMBL10445629 0.76 MDM2 (0.49) CSNK1ELTA4HLAP3SLC15A1ANPEP
SCHEMBL10697296 0.76 SLC15A1 (0.48) L3MBTL1ALDH1A1CYP3A4MAPK1LTA4H

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-5114927-A Hypotensive agents and inhibiting renin MERRELL DOW PHARMACEUTICALS INC. (US) 1992-05-19 US disclosed