SCHEMBL27969237

SCHEMBL27969237

Cc1ccc(C(C)CC2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
ACHE P22303 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRNA7 P36544 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
EPHX1 P07099 1/20 0.37
EPHX2 P34913 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
SCHEMBL29706730 0.84 SLC6A2 (0.54) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL3587637 0.83 GAA (0.50) KMT2ARAB9AMEN1CYP3A4
SCHEMBL23315549 0.81 CTSL (0.39)
SCHEMBL21227006 0.81 GCK (0.36) METAP2METAP1KMT2AMEN1SLC6A2
SCHEMBL22868100 0.80 METAP2 (0.47) METAP2METAP1KEAP1NFE2L2KMT2A
SCHEMBL10021113 0.80 METAP2 (0.47) METAP2METAP1KEAP1NFE2L2KMT2A
SCHEMBL8038720 0.79 SLC6A2 (0.46) METAP2METAP1KEAP1NFE2L2KMT2A
SCHEMBL21227005 0.78 GCK (0.47) KMT2AMEN1EPHX1CHRM2CHRM1
SCHEMBL21226956 0.78 MEN1 (0.46) METAP2METAP1KMT2ANPC1RAB9A
SCHEMBL31388243 0.78 PDE4A (0.39) METAP2METAP1KEAP1NFE2L2KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114606519-B Olefin hydroalkylation reaction method based on electrochemical means and CuX catalysis 天津理工大学 2024-05-28 CN disclosed
CN-114606519-A Olefin hydroalkylation reaction method based on electrochemical means and CuX catalysis 天津理工大学 2022-06-10 CN disclosed
CN-104011928-A Organic electrolyte, and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORP 2014-08-27 CN disclosed