SCHEMBL8670134

SCHEMBL8670134

C(C=Cc1ccccc1)=Cc1ccccc1.C(C=Cc1ccccc1)=Cc1ccccc1.C(C=Cc1ccccc1)=Cc1ccccc1.CC1(C)CC=CC=C1[Ti+3].C[O-].C[O-].C[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 3/20 0.33
TRPA1 O75762 2/20 0.33
LMNA P02545 2/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 6/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.32
CYP3A4 P08684 2/20 0.32
NFE2L2 Q16236 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31

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
SCHEMBL8668576 0.93 MAOB (0.40) MAOBRAB9ANPC1ALDH1A1MAPK1
Phenol SCHEMBL8669792 0.86 MAPT (0.35) MAOBALDH1A1MAPK1LMNAMAPT
SCHEMBL8664512 0.76 MAOB (0.48) MAOBRAB9ANPC1ALDH1A1MAPK1
Phenol SCHEMBL8666952 0.75
SCHEMBL8668213 0.73 MAOB (0.34) MAOB
SCHEMBL8667097 0.69 MAOB (0.47) MAOBRAB9ANPC1ALDH1A1MAPK1
SCHEMBL8666431 0.65 MAOB (0.45) MAOBRAB9ANPC1ALDH1A1MAPK1
SCHEMBL23458007 0.64 MAOB (1.00) MAOBRAB9ANPC1ALDH1A1MAPK1
SCHEMBL592744 0.64 MAOB (1.00) MAOBRAB9ANPC1ALDH1A1MAPK1
Benzene SCHEMBL9803304 0.64 MAOB (1.00) MAOBRAB9ANPC1ALDH1A1MAPK1

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 3 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
US-5543480-A USING GROUP 4 METAL COMPLEXES CONTAINING A DIENE MOIETY THE DOW CHEMICAL COMPANY (US) 1996-08-06 US disclosed