SCHEMBL5086413

SCHEMBL5086413

C=CCOc1c(Br)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
HTT P42858 3/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
RXRA P19793 2/20 0.33
PPARG P37231 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
RARG P13631 1/20 0.32
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32

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
SCHEMBL6676865 0.86 MEN1 (0.34) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL29605909 0.84 SMN1; SMN2 (0.40) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL5086388 0.84 SMN1; SMN2 (0.40) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL5090305 0.83 CA1 (0.42) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL5089894 0.83 LMNA (0.39) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL30832649 0.83 CA1 (0.42) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL26361504 0.83 MEN1 (0.37) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL10338842 0.80 LMNA (0.43) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL6605780 0.80 RXRA (0.42) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL29498841 0.80 RXRA (0.42) SMN1; SMN2MEN1KMT2AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1498178-B1 Transition metal complex and process for producing the same SUMITOMO CHEMICAL CO (JP) 2008-06-11 EP disclosed
EP-1498178-A2 Transition metal complex, process for producing the same, olefin polymerization catalyst containing the transition metal complex and process for producing olefin polymers Sumitomo Chemical Company, Limited (JP) 2005-01-19 EP disclosed
EP-0842939-B1 OLEFIN POLYMERIZATION CATALYST CONTAINING A TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6329478-B1 SOLUBILITY IN SATURATED HYDROCARBON SOLVENTS SUMITMO CHEMICAL COMPANY, LIMITED 2001-12-11 US disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 EP disclosed