SCHEMBL8097604

SCHEMBL8097604

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
NLRP3 Q96P20 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 3/20 0.36
NOTUM Q6P988 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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 0.87 ADRA2A (0.43) ADRA2ANLRP3L3MBTL1TDP1ALDH1A1
SCHEMBL8091499 0.86 NLRP3 (0.40) NLRP3L3MBTL1TDP1HTTALDH1A1
SCHEMBL8097787 0.83 TSHR (0.40) TDP1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL8091366 0.79 NOTUM (0.43) ADRA2AL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL1429298 0.75 AKR1B1 (0.55) ADRA2ANLRP3HTTALDH1A1SMN1; SMN2
SCHEMBL27499925 0.74 ADRA2A (0.50) ADRA2ANOTUM
Ammonia Solution, Strong SCHEMBL27532390 0.74 AKR1B1 (0.53) ADRA2ANLRP3HTTALDH1A1SMN1; SMN2
SCHEMBL8099968 0.71 MCHR1 (0.42) NLRP3L3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8092415 0.71 BRD4 (0.39) NLRP3L3MBTL1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8092437 0.69 ADRA2A (0.43) ADRA2ANLRP3HTTHPGDMAPT

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