SCHEMBL7612448

SCHEMBL7612448

NN(CC=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALOX15 P16050 1/20 0.34
ADRA2C P18825 1/20 0.34
ESR1 P03372 1/20 0.34
HTT P42858 3/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA2 P00918 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL1002646 0.78 APP (0.35) CYP3A4
SCHEMBL10764128 0.78 AOC3 (0.34) ALDH1A1NPSR1ALOX15ADRA2CHTT
SCHEMBL1444328 0.77 ESR1 (0.45) ALDH1A1ESR1HTTKMT2AKDM4E
SCHEMBL8380661 0.76 TSHR (0.40) ALDH1A1NPSR1ALOX15ADRA2CHTT
SCHEMBL7230081 0.76 ALDH1A1 (0.42) ALDH1A1NPSR1ALOX15ESR1HTT
SCHEMBL10431282 0.76 ALDH1A1 (0.32) ALDH1A1ESR1KDM4ECYP1A2CYP3A4
SCHEMBL3928290 0.73 CA12 (0.47) ALDH1A1HTTKMT2ACA2RAB9A
SCHEMBL8169667 0.73 ALDH1A1 (0.38) ALDH1A1NPSR1ALOX15HTTKMT2A
SCHEMBL23174610 0.72 MAOB (0.43) ALDH1A1KMT2AMAPTCA2MEN1
SCHEMBL2357799 0.72 IDO1 (0.47) ADRA2CHTTKMT2AKDM4ECYP1A2

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
US-6498132-B2 SURFACE TREATMENT COMPOSITION COMPRISES A COMPLEXING AGENT AS A METAL DEPOSITION PREVENTIVE COMPRISING ATLEAST ONE AROMATIC HYDROCARBON RING CONTAINING HYDROXY OR O-GROUP DIRECTLY ATTACHED WITH RING CARBON AND A SECOND COMPLEXING AGENT MITSUBISHI CHEMICAL CORPORATION (JP) 2002-12-24 US disclosed
US-20020045556-A1 Method for treating surface of substrate and surface treatment composition used for the same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-04-18 US disclosed
US-5885362-A APPLYING TO SURFACE A COMPOSITION COMPRISING A LIQUID MEDIUM AND AT LEAST ONE COMPLEXING AGENT, FOR EXAMPLE ETHYLENEDIAMINEDIORTHOHYDROXYPHENYLACETIC ACID MITSUBISHI CHEMICAL CORPORATION (JP) 1999-03-23 US disclosed
EP-0789071-A1 METHOD FOR TREATING SURFACE OF SUBSTRATE AND SURFACE TREATMENT COMPOSITION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 1997-08-13 EP disclosed
US-3948939-A 9-Acyl-1,2,3,4-tetrahydrocarbazole-3 and 4-carboxylic acids STERLING DRUG INC. (US) 1976-04-06 US disclosed