SCHEMBL4862216

SCHEMBL4862216

c1ccc(COc2ccc(-c3ccc(-c4ccc(-c5ccnc6c5ccc5c(-c7ccc(-c8ccc(-c9ccc(OCc%10ccccc%10)cc9)cc8)cc7)ccnc56)cc4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.55
GRM4 Q14833 1/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALK Q9UM73 1/20 0.47
MAOB P27338 4/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAOA P21397 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ENPP3 O14638 1/20 0.46

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
SCHEMBL4865360 0.81 LTA4H (0.49) GSTP1CYP1A2CYP2C19ALKGAA
SCHEMBL3289250 0.81 PIK3CA (0.53) ALKL3MBTL1
SCHEMBL10032425 0.79 IKBKB (0.52) CYP1A2CYP2C19ALKL3MBTL1MEN1
SCHEMBL197017 0.79 LMNA (0.72) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL6557185 0.77 BACE1 (0.40) ALKMAOBGAASMN1; SMN2MAOA
SCHEMBL6557994 0.77 MAPT (0.52) GRM4LMNAGAARAB9AMAPT
SCHEMBL23483029 0.77 LMNA (0.69) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL28868 0.77 IKBKB (0.53) CYP1A2CYP2C19ALKL3MBTL1MEN1
SCHEMBL28859500 0.77 IKBKB (0.53) CYP1A2CYP2C19ALKL3MBTL1MEN1
Benzene SCHEMBL28095234 0.77 IKBKB (0.53) CYP1A2CYP2C19ALKL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7416791-B1 Osmium complexes and related organic light-emitting devices UNIVERSITY OF WASHINGTON (US) 2008-08-26 US claimed