SCHEMBL8666362

SCHEMBL8666362

C(C=Cc1ccccc1)=Cc1ccccc1.CC(C)(C)[Ti+2]C1=CC=CC1.C[N-]C.C[N-]C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
TRPA1 O75762 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL8666221 0.84 MAOB (0.44) MAOBTRPA1ALDH1A1LMNAALOX5
Phenol SCHEMBL8666412 0.82 ALDH1A1 (0.31) MAOBALDH1A1CYP3A4
SCHEMBL8669755 0.80 MAOB (0.36) MAOB
SCHEMBL8670124 0.79
SCHEMBL8667097 0.74 MAOB (0.47) MAOBTRPA1ALDH1A1LMNAALOX5
Hydrochloric Acid SCHEMBL4633231 0.74
SCHEMBL8667424 0.72
SCHEMBL8664513 0.71 MAOB (0.36) MAOB
SCHEMBL8669773 0.71 RELA (0.35) ALOX5NFE2L2
SCHEMBL8664653 0.70

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