SCHEMBL9035265

SCHEMBL9035265

[CH2]CCNC(=O)C1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.55
EPHX1 P07099 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
HSD17B10 Q99714 2/20 0.52
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
EPHX2 P34913 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.44
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
NAMPT P43490 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL9034554 0.98 NAAA (0.58) NAAAEPHX1SMN1; SMN2HSD17B10KEAP1
SCHEMBL1740262 0.98 NAAA (0.58) NAAAEPHX1SMN1; SMN2HSD17B10KEAP1
SCHEMBL28066295 0.96 NAAA (0.50) NAAAEPHX1SMN1; SMN2HSD17B10KEAP1
SCHEMBL499004 0.91
SCHEMBL2115641 0.88 NAAA (0.61) NAAAEPHX1SMN1; SMN2HSD17B10KEAP1
SCHEMBL9035898 0.86 NAAA (0.64) NAAAEPHX1SMN1; SMN2HSD17B10KEAP1
SCHEMBL9036296 0.86 NAAA (0.64) NAAAEPHX1SMN1; SMN2HSD17B10KEAP1
SCHEMBL3184451 0.84 NAAA (0.66) NAAAEPHX1SMN1; SMN2HSD17B10KEAP1
SCHEMBL9034167 0.83 NAAA (0.56) NAAAEPHX1SMN1; SMN2HSD17B10KEAP1
SCHEMBL9776358 0.83 NAAA (0.70) NAAAEPHX1SMN1; SMN2HSD17B10KEAP1

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
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed