SCHEMBL179896

SCHEMBL179896

CC(C)CC1Cc2c(cc3c(c2Br)CCC3)C1=O

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ABCB11 O95342 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
SCN1A P35498 1/20 0.31
HTR2B P41595 1/20 0.31
MTOR P42345 1/20 0.31
SLC18A2 Q05940 1/20 0.31
SCN2A Q99250 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SCN3A Q9NY46 1/20 0.31

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
SCHEMBL180311 0.78 ACHE (0.42)
SCHEMBL180033 0.77 PDE4D (0.36) METAP1KDM4EABCB11ALDH1A1POLB
SCHEMBL3685904 0.77 ACHE (0.41)
SCHEMBL3688423 0.75 ACHE (0.41)
SCHEMBL9957468 0.70 ERBB2 (0.32) KDM4EABCB11ALDH1A1POLBHTR1A
SCHEMBL1583328 0.68 METAP1 (0.40) METAP1
SCHEMBL18393609 0.66 MAPK1 (0.41) ALDH1A1MAPTMAPK1HSD17B10
SCHEMBL19475118 0.65 NLRP3 (0.38) ALDH1A1MAPTMAPK1
SCHEMBL5951525 0.62 METAP1 (0.40) METAP1
SCHEMBL30042078 0.62 NLRP3 (0.36) ALDH1A1MAPT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402353-B1 Group 4 metallocenes useful as catalysts for the polymerization of olefins BOREALIS AG (AT) 2018-04-25 EP disclosed
EP-2402353-B1 Group 4 metallocenes useful as catalysts for the polymerization of olefins BOREALIS AG (AT) 2018-04-25 EP disclosed
EP-2402354-B1 Process for olefin polymerisation using group 4 metallocene as catalysts BOREALIS AG (AT) 2016-03-02 EP disclosed
EP-2402354-B1 Process for olefin polymerisation using group 4 metallocene as catalysts BOREALIS AG (AT) 2016-03-02 EP disclosed
US-8933256-B2 Catalysts BOREALIS AG (AT) 2015-01-13 US disclosed
US-8933256-B2 Catalysts BOREALIS AG (AT) 2015-01-13 US disclosed
US-8933256-B2 Catalysts BOREALIS AG (AT) 2015-01-13 US disclosed
US-8865848-B2 Process for olefin polymerisation using group 4 metallocene as catalysts BOREALIS AG (AT) 2014-10-21 US disclosed
US-8865848-B2 Process for olefin polymerisation using group 4 metallocene as catalysts BOREALIS AG (AT) 2014-10-21 US disclosed
US-8865848-B2 Process for olefin polymerisation using group 4 metallocene as catalysts BOREALIS AG (AT) 2014-10-21 US disclosed
US-20130217845-A1 PROCESS FOR OLEFIN POLYMERISATION USING GROUP 4 METALLOCENE AS CATALYSTS BOREALIS AG (AT) 2013-08-22 US disclosed
US-20130217845-A1 PROCESS FOR OLEFIN POLYMERISATION USING GROUP 4 METALLOCENE AS CATALYSTS BOREALIS AG (AT) 2013-08-22 US disclosed
WO-2012001051-A1 PROCESS FOR OLEFIN POLYMERISATION USING GROUP 4 METALLOCENE AS CATALYSTS BOREALIS AG (AT) 2012-01-05 WO disclosed
WO-2012001051-A1 PROCESS FOR OLEFIN POLYMERISATION USING GROUP 4 METALLOCENE AS CATALYSTS BOREALIS AG (AT) 2012-01-05 WO disclosed
WO-2012001052-A2 CATALYSTS BOREALIS AG (AT) 2012-01-05 WO disclosed
WO-2012001052-A2 CATALYSTS BOREALIS AG (AT) 2012-01-05 WO disclosed
EP-2402353-A1 Group 4 metallocenes useful as catalysts for the polymerization of olefins Borealis AG (AT) 2012-01-04 EP disclosed
EP-2402353-A1 Group 4 metallocenes useful as catalysts for the polymerization of olefins Borealis AG (AT) 2012-01-04 EP disclosed
EP-2402354-A1 Process for olefin polymerisation using group 4 metallocene as catalysts Borealis AG (AT) 2012-01-04 EP disclosed
EP-2402354-A1 Process for olefin polymerisation using group 4 metallocene as catalysts Borealis AG (AT) 2012-01-04 EP disclosed