SCHEMBL5349583

SCHEMBL5349583

Cc1ccc(C)c(N=CCc2cccc(CC=Nc3cc(C)ccc3C)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.44
MAPT P10636 7/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 1/20 0.36
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KMT2A Q03164 5/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
AGTR1 P30556 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 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
SCHEMBL4618650 0.85 ALDH1A1 (0.37) DHODHSMN1; SMN2ALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL4620650 0.82 ALDH1A1 (0.35) DHODHSMN1; SMN2ALDH1A1NPC1RAB9A
Bromide SCHEMBL4621093 0.82 ALDH1A1 (0.35) DHODHALDH1A1KDM4ECYP3A4
Hydrochloric Acid SCHEMBL4620930 0.82 MAPT (0.31) DHODHMAPTKMT2AKDM4ELMNA
SCHEMBL5362668 0.82 CYP2C9 (0.47) MAPTSMN1; SMN2ALDH1A1NPC1TDP1
Hydrochloric Acid SCHEMBL7095603 0.79 CYP2C9 (0.45) MAPTSMN1; SMN2ALDH1A1NPC1TDP1
SCHEMBL812525 0.78 NOS1 (0.39) MAPTALDH1A1NOS1NOS2KMT2A
Hydrochloric Acid SCHEMBL811296 0.75 NOS1 (0.37) MAPTSMN1; SMN2ALDH1A1NOS1NOS2
SCHEMBL7053846 0.75 POLB (0.33) NOS1NOS2KMT2AMEN1POLB
SCHEMBL22991960 0.74 MAPT (0.49) DHODHMAPTSMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238764-B2 Process for the co-oligomerisation of ethylene and alpha olefins SHELL OIL COMPANY (US) 2007-07-03 US disclosed
US-7037988-B2 Process for the co-oligomerisation of ethylene and alpha olefins SHELL OIL COMPANY (US) 2006-05-02 US disclosed
US-20050059786-A1 Process for the co-oligomerisation of ethylene and alpha olefins DE BOER ERIC JOHANNES MARIA (NL) 2005-03-17 US disclosed
EP-1322576-A2 PROCESS FOR THE CO-OLIGOMERISATION OF ETHYLENE AND ALPHA OLEFINS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2003-07-02 EP disclosed
US-20020128409-A1 Process for the co-oligomerisation of ethylene and alpha olefins SHELL OIL COMPANY 2002-09-12 US disclosed
WO-2002028805-A2 PROCESS FOR THE CO-OLIGOMERISATION OF ETHYLENE AND ALPHA OLEFINS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2002-04-11 WO disclosed