SCHEMBL8669760

SCHEMBL8669760

C(C=Cc1ccccc1)=Cc1ccccc1.C[N-]C.C[N-]C.C[N-]C.[Ti+3]C1C=Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.34
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
ALOX5 P09917 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
CYP3A4 P08684 1/20 0.33
CMA1 P23946 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL8666257 0.92 MAOB (0.44) MAOBALDH1A1MAPK1TRPA1LMNA
SCHEMBL8668770 0.91 NFE2L2 (0.33) MAOBALDH1A1LMNANPC1RAB9A
SCHEMBL8671280 0.83 HTR6 (0.31)
Phenol SCHEMBL8665891 0.82 ALDH1A1 (0.35) MAOBALDH1A1MAPTCYP3A4KDM4E
Butadiene SCHEMBL8668560 0.81 HTR6 (0.32) SIGMAR1
SCHEMBL8669882 0.79
SCHEMBL8666238 0.78 MAOB (0.38) MAOBSIGMAR1
SCHEMBL30373042 0.78 HTR2A (0.41) ALDH1A1LMNAMAPTCYP3A4KDM4E
SCHEMBL8664613 0.76 NOTUM (0.32)
Hydrochloric Acid SCHEMBL29386338 0.76 HTR2A (0.40) LMNACYP3A4KDM4EMEN1KMT2A

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