SCHEMBL5607629

SCHEMBL5607629

BrCOc1cccc2c1CCC2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRB P28702 9/20 0.52
RXRA P19793 9/20 0.52
RXRG P48443 6/20 0.52
MRGPRX4 Q96LA9 1/20 0.50
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SSTR4 P31391 1/20 0.41
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
MCL1 Q07820 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL11075914 0.96 RXRA (0.52) RXRBRXRARXRGMRGPRX4ADRA2A
SCHEMBL2416358 0.86 RXRB (0.50) RXRBRXRARXRGMRGPRX4ADRA2A
SCHEMBL9719997 0.81 RXRA (0.55) RXRBRXRARXRGMRGPRX4ADRA2A
SCHEMBL2204938 0.81 RXRA (0.49) RXRBRXRARXRGMRGPRX4BCL2L1
SCHEMBL9492175 0.80 RXRA (0.51) RXRBRXRARXRGMRGPRX4BCL2L1
SCHEMBL19330870 0.79 RXRA (0.50) RXRBRXRARXRGMRGPRX4ADRA2A
SCHEMBL11015470 0.79 RXRB (0.50) RXRBRXRARXRGMRGPRX4SSTR4
SCHEMBL5456652 0.79 RXRA (0.50) RXRBRXRARXRGMRGPRX4ADRA2A
SCHEMBL30994276 0.79 RXRA (0.50) RXRBRXRARXRGMRGPRX4ADRA2A
SCHEMBL6573511 0.79 RXRB (0.50) RXRBRXRARXRGMRGPRX4ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022233-A1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS ExxonMobil Chemical Patents Inc. (US) 2016-05-25 EP disclosed
WO-2015009473-A1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-01-22 WO disclosed
EP-1833859-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-09-19 EP disclosed
WO-2006065843-A2 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed