SCHEMBL9579529

SCHEMBL9579529

Cc1cc(C=O)cc(C)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.47
CYP2A6 P11509 3/20 0.42
ALDH1A1 P00352 8/20 0.39
ALDH1A3 P47895 2/20 0.39
CYP3A4 P08684 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 2/20 0.33
ERN1 O75460 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TYR P14679 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
SCHEMBL29032304 0.82 SRC (0.42) SRCCYP2A6ALDH1A1ALDH1A3TSHR
SCHEMBL814444 0.80 SRC (0.48) SRCCYP2A6ALDH1A1ALDH1A3CYP3A4
SCHEMBL79252 0.80 ERN1 (0.44) CYP2A6ALDH1A1CYP3A4MAPTTSHR
SCHEMBL1929437 0.80 ERN1 (0.44) CYP2A6ALDH1A1CYP3A4MAPTTSHR
SCHEMBL28225789 0.78 ERN1 (0.42) CYP2A6ALDH1A1CYP3A4MAPTERN1
SCHEMBL29169368 0.78 ERN1 (0.42) CYP2A6ALDH1A1CYP3A4MAPTERN1
SCHEMBL6380211 0.78 SRC (0.47) SRCCYP2A6ALDH1A1ALDH1A3CYP3A4
SCHEMBL11045347 0.78 ERN1 (0.42) CYP2A6ALDH1A1CYP3A4MAPTERN1
SCHEMBL18056087 0.76 CYP3A4 (0.35) ALDH1A1CYP3A4MAPTTSHRERN1
SCHEMBL143965 0.76 CYP2C9 (0.56) SRCCYP3A4ERN1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1276027-C Composite polyamide/clay material and its prepn and use CHINESE ACAD INST CHEMISTRY (CN) 2006-09-20 CN claimed
CN-1609143-A Composite polyamide/clay material and its prepn and use CHINESE ACAD INST CHEMISTRY (CN) 2005-04-27 CN claimed
CN-1276027-C Composite polyamide/clay material and its prepn and use CHINESE ACAD INST CHEMISTRY (CN) 2006-09-20 CN disclosed
CN-1609143-A Composite polyamide/clay material and its prepn and use CHINESE ACAD INST CHEMISTRY (CN) 2005-04-27 CN disclosed
US-5223588-A In situ polymerization of rigid rod and matrix polymers GENCORP INC. (US) 1993-06-29 US disclosed
US-5068292-A Reaction of monomers to form rigid polymer rods followed by reaction of matrix polymers in situ GENCORP INC. (US) 1991-11-26 US disclosed
EP-0408166-A2 Composite polymeric materials GENCORP INC. (US) 1991-01-16 EP disclosed
EP-0103957-B1 SUBSTITUTED BENZYL ESTERS, INTERMEDIATES THEREFOR, PROCESSES FOR THEIR PREPARATION AND THE USE OF THE ESTERS AS PESTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1988-04-20 EP disclosed
US-4515808-A INSECTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-05-07 US disclosed
EP-0103957-A2 Substituted benzyl esters, intermediates therefor, processes for their preparation and the use of the esters as pesticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-03-28 EP disclosed