SCHEMBL7932026

SCHEMBL7932026

Oc1ccc(C2CCCCC2)cc1-c1cc(C2CCCCC2)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.61
HDAC4 P56524 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
QDPR P09417 4/20 0.48
KMO O15229 1/20 0.44
BIRC5 O15392 2/20 0.43
PDK2 Q15119 1/20 0.43
BACE1 P56817 2/20 0.42
EPHX2 P34913 1/20 0.41
NUDT1 P36639 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ESR2 Q92731 1/20 0.40

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
SCHEMBL30478384 0.91 ACMSD (0.53) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL29051069 0.91 ACMSD (0.53) ACMSDHDAC4HDAC2HDAC8QDPR
P-Cresol SCHEMBL15512160 0.87 ACMSD (0.49) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL7083400 0.86 ACMSD (0.51) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL21630420 0.86 ACMSD (0.55) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL28791409 0.86 ACMSD (0.51) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL9143330 0.86 ACMSD (0.55) ACMSDHDAC4HDAC2HDAC8QDPR
Orthocresol SCHEMBL15511891 0.85 ACMSD (0.48) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL68815 0.85 QDPR (0.66) ACMSDHDAC4HDAC2HDAC8QDPR
SCHEMBL27695861 0.83 ACMSD (0.54) ACMSDHDAC4HDAC2HDAC8QDPR

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674953-A COATING SURFACES OF POLYMERIZATION APPARATUS WITH A RESIN FILM FORMED BY REACTING A DIHYDROXYBIPHENYL AND AN ALDEHYDE TO PREVENT VINYL CHLORIDE POLYMER FROM ADHERING MITSUI TOATSU CHEMICALS, INC. (JP) 1997-10-07 US claimed
EP-0462284-A1 POLYMERIZATION OF VINYL CHLORIDE MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-12-27 EP claimed
US-6303712-B1 CHARGING MATERIALS INCLUDING VINYL CHLORIDE MONOMERS OR MONOMER MIXTURE, AQUEOUS MEDIUM AND DISPERSANT; INITIATING POLYMERIZATION BY INTRODUCING POLYMERIZATION INITIATOR AT POSITION OF INTERIOR OF LIQUID PHASE OF MATERIALS CHARGED SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-10-16 US disclosed
US-6291600-B1 APPLYING ACIDIC COATING FLUID COMPRISING MODIFIED PHENOLIC RESIN ON SURFACES OF TANK TO DEPOSIT PHENOLIC RESIN WHICH ADHERES TO SURFACES MITSUI CHEMICALS, INC. (JP) 2001-09-18 US disclosed
EP-0760378-B1 Polymer scale deposition preventive agent SHINETSU CHEMICAL CO (JP) 1999-01-27 EP disclosed
US-5789499-A RETAINING EFFECT OF ANTIFOULING AGENT IN A COATED POLYMERIZATION REACTOR MITSUI CHEMICALS, INC. (JP) 1998-08-04 US disclosed
US-5728780-A ADDITION POLYMERIZATION OF VINYL CHLORIDE FOR COATINGS MITSUI TOATSU CHEMICALS, INC. (JP) 1998-03-17 US disclosed
US-5728781-A POLYMERIZING AN UNSATURATED MONOMER IN A VESSEL HAVING A COATING FILM ON THE INNER WALL SURFACE THEREOF SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-03-17 US disclosed
EP-0821014-A2 Polymerisation of vinyl cloride MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1998-01-28 EP disclosed
EP-0821008-A2 Polymerisation of vinyl chloride MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1998-01-28 EP disclosed
US-5674953-A COATING SURFACES OF POLYMERIZATION APPARATUS WITH A RESIN FILM FORMED BY REACTING A DIHYDROXYBIPHENYL AND AN ALDEHYDE TO PREVENT VINYL CHLORIDE POLYMER FROM ADHERING MITSUI TOATSU CHEMICALS, INC. (JP) 1997-10-07 US disclosed
US-5674954-A COATING THE INTERIOR SURFACE WITH AN AQUEOUS ALKALI SOLUTION CONTAINING A PHENOLIC RESIN COMPRISING AT LEAST ONE PHENOL AND ALDEHYDE MITSUI TOATSU CHEMICALS, INC. (JP) 1997-10-07 US disclosed
EP-0760378-A1 Polymer scale deposition preventive agent SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-03-05 EP disclosed
EP-0462284-A1 POLYMERIZATION OF VINYL CHLORIDE MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-12-27 EP disclosed