SCHEMBL8091499

SCHEMBL8091499

CCOC(=O)CC1=Cc2c(C)cccc2CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.40
NOTUM Q6P988 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.36
PKM P14618 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL8097781 0.86 ADRA2A (0.43) NLRP3NOTUMCA12CA1CA2
SCHEMBL8097604 0.86 ADRA2A (0.43) NLRP3NOTUMCA12CA1CA2
SCHEMBL8097787 0.85 TSHR (0.40) ALDH1A1SMN1; SMN2MAPTHSD17B10ALOX15
SCHEMBL8091366 0.81 NOTUM (0.43) NOTUML3MBTL1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8099968 0.73 MCHR1 (0.42) NLRP3L3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8092415 0.73 BRD4 (0.39) NLRP3L3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8092437 0.71 ADRA2A (0.43) NLRP3MAPTHTTHPGDMEN1
SCHEMBL11656819 0.71 GABRP (0.42) NOTUML3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL10930335 0.71 NOTUM (0.44) NOTUMALDH1A1SMN1; SMN2HSD17B10PKM
SCHEMBL9181008 0.70 ALDH1A1 (0.47) NLRP3ALDH1A1SMN1; SMN2PKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1183907-C Imidazoline compound, preparing process thereof and pharmaceutical composition contg. same SERVIER LAB (FR) 2005-01-12 CN disclosed
US-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed