SCHEMBL4623134

SCHEMBL4623134

CC1=Cc2c(cccc2-c2ccccc2)[C]1CC[C]1C(C)=Cc2c1cccc2-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
DPP4 P27487 1/20 0.34
HTR7 P34969 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2A6 P11509 2/20 0.33
HPGD P15428 1/20 0.33
BCL2L1 Q07817 1/20 0.33
CYP2B6 P20813 1/20 0.33
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
FOLH1 Q04609 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 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
SCHEMBL5084803 0.89 CD274 (0.42) PDCD1CD274DPP4HTR7ALDH1A1
SCHEMBL4620488 0.79 PDCD1 (0.36) PDCD1CD274DPP4HTR7ALDH1A1
SCHEMBL7597089 0.77 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP2A6HPGDCA12
SCHEMBL27724373 0.76 ALDH1A1 (0.52) PDCD1CD274ALDH1A1HSD17B10HPGD
SCHEMBL4622300 0.70 LMNA (0.34) ALDH1A1HPGDMAPK1ADORA3
SCHEMBL25785668 0.65 PDCD1 (0.64) PDCD1CD274HTR7ALDH1A1HSD17B10
SCHEMBL1827132 0.64 PDCD1 (0.39) PDCD1CD274DPP4HTR7ALDH1A1
SCHEMBL60836 0.64 PDCD1 (0.39) PDCD1CD274DPP4ALDH1A1HSD17B10
SCHEMBL2048988 0.64 ALDH1A1 (0.46) PDCD1CD274DPP4HTR7ALDH1A1
SCHEMBL7863648 0.63 PDCD1 (0.38) PDCD1CD274DPP4HTR7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053263-B1 CATALYST SYSTEM BASELL POLYOLEFINE GMBH (DE) 2003-10-01 EP claimed
EP-1954724-A1 SYNDIOTACTIC PROPYLENE ELASTOMERS ExxonMobil Chemical Patents Inc. (US) 2008-08-13 EP disclosed
EP-1219657-B1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-03-19 EP disclosed
WO-2007061525-A1 SYNDIOTACTIC PROPYLENE ELASTOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-31 WO disclosed
EP-1558655-A2 MULTIPLE CATALYST SYSTEM FOR OLEFIN POLYMERIZATION AND POLYMERS PRODUCED THEREFROM Exxonmobil Chemical Patents Inc. (US) 2005-08-03 EP disclosed
WO-2004046214-A2 MULTIPLE CATALYST SYSTEM FOR OLEFIN POLYMERIZATION AND POLYMERS PRODUCED THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-06-03 WO disclosed
US-20020052446-A1 Composition based on monofluorometal complexes BAYER AKTIENGESELLSCHAFT (DE) 2002-05-02 US disclosed
US-5965678-A Catalyst system based on monoazadiene metal complexes BAYER AG (DE) 1999-10-12 US disclosed