SCHEMBL6944967

SCHEMBL6944967

COc1ccc(C(Cl)CC(=O)CC(Cl)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
FFAR1 O14842 1/20 0.45
LDHA P00338 1/20 0.44
KMT2A Q03164 3/20 0.44
CNR2 P34972 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
PAX8 Q06710 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MEN1 O00255 2/20 0.44
F2RL1 P55085 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL4730380 0.89 L3MBTL1 (0.49) L3MBTL1FFAR1LDHAKMT2ACNR2
SCHEMBL15312717 0.87 FFAR1 (0.55) L3MBTL1FFAR1LDHAKMT2AATM
SCHEMBL6289377 0.86 TNF (0.52) L3MBTL1FFAR1LDHAKMT2ACNR2
SCHEMBL10386265 0.85 AKR1C3 (0.56) L3MBTL1TSHRTDP1MAPTLMNA
SCHEMBL3648264 0.77 RAB9A (0.43) L3MBTL1LDHAKMT2ACNR2ALDH1A1
SCHEMBL10481599 0.76 ALDH1A1 (0.50) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL7109235 0.76 ALDH1A1 (0.50) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL20969742 0.75 CYP1A2 (0.48) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL28271308 0.75 ALDH1A1 (0.48) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL28193193 0.74 ALDH1A1 (0.44) L3MBTL1KMT2ACNR2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6664111-B2 The detector is a solid polymeric matrix, e.g., siloxane, modified by a luminescent platinum group metal phenanthroline chelate complex which is quenchable by oxygen; blood and tissue samples; medical diagnosis; compact; lightweight 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
US-20030099574-A1 Fluorescence based oxygen sensor systems 3M INNOVATIVE PROPERTIES COMPANY 2003-05-29 US disclosed