SCHEMBL5551902

SCHEMBL5551902

CCCCc1cccc2[nH]c(C(CCCC)c3nc4c(CCCC)cccc4[nH]3)nc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
PARP1 P09874 6/20 0.37
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GLA P06280 1/20 0.34
PTGS2 P35354 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
RIPK1 Q13546 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL629041 0.77 NPC1 (0.41) TSHRKDM4ECYP1A2CYP3A4HSD17B10
SCHEMBL11014691 0.77 TSHR (0.36) ALDH1A1PARP1TSHRKDM4ECYP1A2
SCHEMBL27682492 0.75 ALDH1A1 (0.61) ALDH1A1KDM4E
SCHEMBL3857628 0.74 POLB (0.47) PARP1PTGS2
SCHEMBL15553340 0.72 KCNH2 (0.45) PTGS2TLR8
SCHEMBL16097301 0.72 POLB (0.46) HSD17B10PTGS2
SCHEMBL9158773 0.71 PARP1 (0.36) ALDH1A1PARP1TSHRRIPK1TLR8
SCHEMBL11498419 0.70 LIPG (0.40) PTGS2
SCHEMBL7614140 0.69 MGAM (0.40) ALDH1A1
SCHEMBL12452478 0.69 ALDH1A1 (0.49) ALDH1A1PARP1KDM4E

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-1789425-A2 CHROMIUM COMPLEXES AND THEIR USE IN OLEFIN POLYMERIZATION ExxonMobil Research and Engineering Company (US) 2007-05-30 EP disclosed
WO-2006012327-A2 CHROMIUM COMPLEXES AND THEIR USE IN OLEFIN POLYMERIZATION EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2006-02-02 WO disclosed
EP-1492746-A1 SELECTIVE COUPLING OF TERMINAL OLEFINS WITH ETHYLENE TO MANUFACTURE LINEAR ALPHA-OLEFINS ExxonMobil Research and Engineering Company (US) 2005-01-05 EP disclosed
WO-2003072529-A1 SELECTIVE COUPLING OF TERMINAL OLEFINS WITH ETHYLENE TO MANUFACTURE LINEAR ALPHA-OLEFINS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2003-09-04 WO disclosed
WO-2003027130-A2 TRANSITION METAL COMPLEXES FOR PREPARING OLEFIN OLIGOMERS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2003-04-03 WO disclosed