SCHEMBL5720437

SCHEMBL5720437

COc1cc(F)cc(OC)c1C(=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.42
MAP2K1 Q02750 1/20 0.40
CYP3A4 P08684 3/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 2/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A3 Q01959 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
ADRA2C P18825 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
EBP Q15125 1/20 0.35

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
SCHEMBL2150320 0.82 USP2 (0.55) FFAR1CYP3A4MAPK1SMN1; SMN2LMNA
SCHEMBL9752925 0.78 FFAR1 (0.44) FFAR1CYP3A4MAPK1SMN1; SMN2USP2
SCHEMBL23327273 0.78 CYP3A4 (0.53) MAP2K1CYP3A4MAPK1SMN1; SMN2LMNA
SCHEMBL14519857 0.76 CA12 (0.61) CYP3A4MAPK1SMN1; SMN2LMNAHTT
SCHEMBL12780268 0.75 FFAR1 (0.48) FFAR1USP2KMT2ASLC6A3KCNH2
SCHEMBL16511237 0.74 PPARA (0.44) FFAR1MAP2K1CYP3A4MAPK1LMNA
SCHEMBL18700920 0.73 HTT (0.49) MAP2K1CYP3A4MAPK1SMN1; SMN2LMNA
SCHEMBL5200047 0.73 KMT2A (0.55) SMN1; SMN2RAB9AKMT2ANPC1CA12
SCHEMBL12965657 0.73 LMNA (0.41) FFAR1MAPK1SMN1; SMN2LMNARAB9A
SCHEMBL11420620 0.73 CYP3A4 (0.67) FFAR1CYP3A4MAPK1SMN1; SMN2LMNA

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-1117698-B1 CHELATES COMPRISING CHINOID GROUPS AS PHOTOINITIATORS KIMBERLY CLARK CO (US) 2006-04-19 EP disclosed
WO-2000018750-A9 CHELATES COMPRISING CHINOID GROUPS AS PHOTOINITIATORS KIMBERLY CLARK CO (US) 2001-07-26 WO disclosed
EP-1117698-A2 CHELATES COMPRISING CHINOID GROUPS AS PHOTOINITIATORS Kimberly-Clark Worldwide, Inc. (US) 2001-07-25 EP disclosed
US-6265458-B1 Photoinitiators and applications therefor KIMBERLY-CLARK WORLDWIDE, INC. 2001-07-24 US disclosed
WO-2000018750-A2 CHELATES COMPRISING CHINOID GROUPS AS PHOTOINITIATORS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2000-04-06 WO disclosed