SCHEMBL6903801

SCHEMBL6903801

CCCCCOc1ccc([Mg]Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.56
LTA4H P09960 5/20 0.55
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
TP53 P04637 3/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
PLA2G4B P0C869 1/20 0.49
RARB P10826 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL3135728 0.96 LTA4H (0.52) NR5A1LTA4HNPC1RAB9ATP53
SCHEMBL7849257 0.88 LTA4H (0.50) NR5A1LTA4HNPC1RAB9AHPGD
SCHEMBL3727389 0.83 NR5A1 (0.75) NR5A1LTA4HNPC1RAB9ATP53
1-Butyloxy-4-Pentoxybenzene SCHEMBL12827001 0.83 NR5A1 (0.75) NR5A1LTA4HNPC1RAB9ATP53
SCHEMBL5473083 0.81 NR5A1 (0.79) NR5A1LTA4HNPC1RAB9ATP53
SCHEMBL10943900 0.81 NR5A1 (0.79) NR5A1LTA4HNPC1RAB9ATP53
SCHEMBL2829024 0.81 NR5A1 (0.79) NR5A1LTA4HNPC1RAB9ATP53
SCHEMBL1573968 0.81 NR5A1 (0.79) NR5A1LTA4HNPC1RAB9ATP53
SCHEMBL28373061 0.81 NR5A1 (0.79) NR5A1LTA4HNPC1RAB9ATP53
SCHEMBL11095674 0.81 NR5A1 (0.79) NR5A1LTA4HNPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171520-B1 LOW EMISSION POLYMER COMPOSITIONS DU PONT (US) 2004-08-04 EP claimed
US-6762315-B1 SIMPLIFIED, HIGH PURITY COUPLING INVOLVING METALLIZED AND BORONIC ESTER ARYL DERIVATIVES CLARIANT GMBH (DE) 2004-07-13 US disclosed
EP-1156997-B1 METHOD FOR PRODUCING (1,1':4'1'')-TERPHENYL COMPOUNDS CLARIANT GMBH (DE) 2004-04-28 EP disclosed
EP-1156997-A1 METHOD FOR PRODUCING 1,1':4',11\"]-TERPHENYL COMPOUNDS Clariant GmbH (DE) 2001-11-28 EP disclosed
EP-0953564-B1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO LTD (JP) 2001-06-13 EP disclosed
WO-2000050375-A1 METHOD FOR PRODUCING [1,1':4',11']-TERPHENYL COMPOUNDS CLARIANT GMBH (DE) 2000-08-31 WO disclosed
EP-0854135-B1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO LTD (JP) 2000-02-02 EP disclosed
US-5998652-A Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-12-07 US disclosed
EP-0953564-A1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1999-11-03 EP disclosed
EP-0854135-A2 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1998-07-22 EP disclosed