SCHEMBL6556728

SCHEMBL6556728

O=C(CCCl)c1ccc(CCCCCCO)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 10/20 0.55
THRB P10828 10/20 0.55
CYP4A11 Q02928 2/20 0.53
CYP4F2 P78329 1/20 0.53
DPP4 P27487 1/20 0.47
CA2 P00918 2/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HAO1 Q9UJM8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL11109330 0.93 CYP4A11 (0.53) THRATHRBCYP4A11CYP4F2DPP4
SCHEMBL13730713 0.85 THRA (0.77) THRATHRBHAO1
SCHEMBL6938543 0.85 THRA (0.77) THRATHRBHAO1
SCHEMBL9771021 0.85 MAPT (0.59) THRATHRBDPP4NPC1CASP3
SCHEMBL10708487 0.83 MAPT (0.56) THRATHRBDPP4NPC1CASP3
SCHEMBL3234253 0.81 THRA (0.66) THRATHRBHAO1L3MBTL1
SCHEMBL4489863 0.81 THRA (0.56) THRATHRBDPP4NPC1CASP3
SCHEMBL9771025 0.80 THRA (0.52) THRATHRBCYP4A11CYP4F2DPP4
SCHEMBL14721835 0.79 CYP4A11 (0.56) THRATHRBCYP4A11CYP4F2CA2
SCHEMBL9770962 0.78 THRA (0.50) THRATHRBCYP4A11CYP4F2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423691-A1 FLUORESCENCE BASED OXYGEN SENSOR SYSTEMS 3M Innovative Properties Company (US) 2004-06-02 EP disclosed
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
WO-2003019179-A1 FLUORESCENCE BASED OXYGEN SENSOR SYSTEMS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-03-06 WO disclosed