SCHEMBL23595437

SCHEMBL23595437

O=C(NCCS)C1CCCCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.58
EPHX1 P07099 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
EPHX2 P34913 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL10892115 0.89 NAAA (0.49) NAAAEPHX1SMN1; SMN2HSD17B10HDAC6
SCHEMBL10050310 0.89
SCHEMBL3184451 0.87 NAAA (0.66) NAAAEPHX1SMN1; SMN2HSD17B10HDAC6
SCHEMBL14709057 0.85 NAAA (0.70) NAAAEPHX1SMN1; SMN2HSD17B10HDAC6
SCHEMBL61529 0.81 NAAA (0.59) NAAAEPHX1SMN1; SMN2HSD17B10HDAC6
SCHEMBL17172545 0.81 NAAA (0.82) NAAAEPHX1SMN1; SMN2HSD17B10HDAC6
SCHEMBL19083663 0.80 POLB (0.42) NAAASMN1; SMN2HSD17B10KMT2A
SCHEMBL1740262 0.79 NAAA (0.58) NAAAEPHX1SMN1; SMN2HSD17B10HDAC6
SCHEMBL9034554 0.79 NAAA (0.58) NAAAEPHX1SMN1; SMN2HSD17B10HDAC6
SCHEMBL23419143 0.79 NAAA (0.58) NAAAEPHX1SMN1; SMN2HSD17B10HDAC6

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-20210198623-A1 MACROCARRIER OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-07-01 US disclosed