SCHEMBL8666431

SCHEMBL8666431

C(C=Cc1ccccc1)=Cc1ccccc1.C(C=Cc1ccccc1)=Cc1ccccc1.C(C=Cc1ccccc1)=Cc1ccccc1.CC1=C(C)C(C)(C)C([Ti+3])=C1C.C[O-].C[O-].C[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 5/20 0.36
ALOX5 P09917 2/20 0.36
MAPK1 P28482 2/20 0.36
TRPA1 O75762 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 2/20 0.34
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
Hydrochloric Acid SCHEMBL8665386 0.95 MAOB (0.47) MAOBNPC1RAB9AALDH1A1ALOX5
SCHEMBL8664993 0.94 MAOB (0.45) MAOBNPC1RAB9AALDH1A1ALOX5
SCHEMBL8665679 0.92 MAOB (0.41) MAOBNPC1RAB9AALDH1A1ALOX5
Phenol SCHEMBL8668190 0.92 MAOB (0.41) MAOBNPC1RAB9AALDH1A1ALOX5
SCHEMBL8664539 0.92 MAOB (0.41) MAOBNPC1RAB9AALDH1A1ALOX5
Phenol SCHEMBL8666387 0.86 MAOB (0.34) MAOBNPC1RAB9AALDH1A1CYP3A4
SCHEMBL8666141 0.81 NFE2L2 (0.35) ALOX5MAPTPTGS1PTGS2NFE2L2
Phenol SCHEMBL6753429 0.78
SCHEMBL6933930 0.76 CTSD (0.32)
Phenol SCHEMBL8665075 0.73

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-0767804-B1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS DOW CHEMICAL CO (US) 1998-12-09 EP disclosed
US-5646084-A OLEFIN POLYMERIZATION USING TITANIUM COMPLEX CATALYST AND ACTIVATING COCATALYST THE DOW CHEMICAL COMPANY (US) 1997-07-08 US disclosed
EP-0767804-A1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS THE DOW CHEMICAL COMPANY (US) 1997-04-16 EP disclosed
US-5543480-A USING GROUP 4 METAL COMPLEXES CONTAINING A DIENE MOIETY THE DOW CHEMICAL COMPANY (US) 1996-08-06 US disclosed
WO-1996000742-A1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS THE DOW CHEMICAL COMPANY (US) 1996-01-11 WO disclosed