SCHEMBL8900759

SCHEMBL8900759

CC[Al](Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.42
LTA4H P09960 5/20 0.41
TSHR P16473 1/20 0.39
KCNA3 P22001 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNA4 P43681 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL8715289 0.91 CA4 (0.41) CA4LTA4HTSHRKCNA3CHRNB2
SCHEMBL9817929 0.83 LMNA (0.37) CA4LTA4HTSHRKCNA3CHRNB2
SCHEMBL8715173 0.80 CA4 (0.42) CA4LTA4HTSHRKCNA3CHRNB2
SCHEMBL27884238 0.78 LTA4H (0.40) CA4LTA4HTSHRKCNA3CHRNB2
SCHEMBL10879171 0.71 LTA4H (0.43) CA4LTA4HTSHRKCNA3CHRNB2
SCHEMBL10880957 0.71 LTA4H (0.41) CA4LTA4HTSHRKCNA3CHRNB2
SCHEMBL395207 0.70 CA4 (0.48) CA4LTA4HTSHRKCNA3LMNA
SCHEMBL394526 0.70 CA4 (0.48) CA4LTA4HTSHRKCNA3LMNA
SCHEMBL16738301 0.70 TP53 (0.38) CHRNB4CHRNA3CHRNA7TP53TAAR1
SCHEMBL7741488 0.70 PDCD1 (0.39) L3MBTL1TP53LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758563-A1 OLEFIN OLIGOMERIZATION CATALYST AND PROCESS FOR THE PREPARATION OF OLEFIN OLIGOMER USING IT NIPPON OIL COMPANY, LTD. (JP) 1997-02-19 EP disclosed
US-4115415-A FROM ALKYLENE OXIDES NISSO PETROCHEMICAL INDUSTRIES CO., LTD. (JP) 1978-09-19 US disclosed
US-4022808-A ZINC-ALUMINUM-TITANIUM-TIN-IRON OR GROUP 5A AS CATALYSTS NIPPON SODA COMPANY LIMITED (JA) 1977-05-10 US disclosed