Phenol

Phenol

SCHEMBL8665891

Cc1ccc(C=CC=Cc2ccc(C)cc2)cc1.[O-]c1ccccc1.[O-]c1ccccc1.[O-]c1ccccc1.[Ti+3]C1C=Cc2ccccc21

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.34
MAOB P27338 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NFE2L2 Q16236 1/20 0.31
CA1 P00915 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
GAA P10253 1/20 0.30
CYP1B1 Q16678 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
SCHEMBL8668770 0.88 NFE2L2 (0.33) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL8666257 0.86 MAOB (0.44) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL8669760 0.82 MAOB (0.42) ALDH1A1MEN1KMT2AKDM4EHTT
Phenol SCHEMBL8755439 0.78 SIGMAR1 (0.31)
SCHEMBL30373042 0.72 HTR2A (0.41) ALDH1A1MEN1KMT2AKDM4ECYP3A4
Hydrochloric Acid SCHEMBL29386338 0.71 HTR2A (0.40) MEN1KMT2AKDM4ECYP3A4
Hydrochloric Acid SCHEMBL222444 0.71 HTR2A (0.40) MEN1KMT2AKDM4ECYP3A4
Phenol SCHEMBL8667726 0.71 MAOB (0.38) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL23458019 0.69 MAOB (0.70) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL23458020 0.69 MAOB (0.70) ALDH1A1MEN1KMT2AKDM4EHTT

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