SCHEMBL8097781

SCHEMBL8097781

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
NLRP3 Q96P20 1/20 0.42
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
GAA P10253 1/20 0.36
NOTUM Q6P988 1/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 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
SCHEMBL8097604 0.87 ADRA2A (0.43) ADRA2ANLRP3ALDH1A1KDM4ETDP1
SCHEMBL8091499 0.86 NLRP3 (0.40) NLRP3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL8097787 0.83 TSHR (0.40) ALDH1A1KDM4EKMT2AMEN1TDP1
SCHEMBL6954943 0.80 ADRA2A (0.48) ADRA2AKDM4EKMT2AL3MBTL1
SCHEMBL8091366 0.79 NOTUM (0.43) ADRA2AALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL8092437 0.75 ADRA2A (0.43) ADRA2ANLRP3KMT2AMEN1TSHR
SCHEMBL1867904 0.72 NLRP3 (0.54) NLRP3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL8099968 0.71 MCHR1 (0.42) NLRP3ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8092415 0.71 BRD4 (0.39) NLRP3ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8092602 0.70 TRPM2 (0.40) ALDH1A1KDM4ESMN1; SMN2GAAPOLB

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