SCHEMBL4054009

SCHEMBL4054009

CC(=O)C=Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
HDAC2 Q92769 3/20 0.65
MAPT P10636 4/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
HDAC3 O15379 1/20 0.52
TNKS O95271 1/20 0.52
HDAC4 P56524 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
TNKS2 Q9H2K2 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52

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
SCHEMBL2632243 1.00 GLA (0.77) GLATDP1HDAC2MAPTHDAC1
Biphenyl SCHEMBL27860494 0.94 GLA (0.88) GLATDP1HDAC2MAPTHDAC1
Butenone SCHEMBL312972 0.87 TDP1 (1.00) GLATDP1HDAC2MAPTHDAC1
Butenone SCHEMBL12984182 0.87 TDP1 (1.00) GLATDP1HDAC2MAPTHDAC1
Butenone SCHEMBL76632 0.87 TDP1 (1.00) GLATDP1HDAC2MAPTHDAC1
Butenone SCHEMBL4306181 0.85 TDP1 (0.95) GLATDP1HDAC2MAPTHDAC1
Butenone SCHEMBL792625 0.85 TDP1 (0.95) GLATDP1HDAC2MAPTHDAC1
Butenone SCHEMBL14763524 0.85 TDP1 (0.95) GLATDP1HDAC2MAPTHDAC1
Butenone SCHEMBL7053850 0.85 TDP1 (0.95) GLATDP1HDAC2MAPTHDAC1
Butenone SCHEMBL6235457 0.85 TDP1 (0.95) GLATDP1HDAC2MAPTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232019-B Synthesis method of 3-acetamido benzotrifluoride compound 闽江学院 2023-10-27 CN disclosed
CN-115232019-A Synthetic method of 3-acetamido benzotrifluoride compound 闽江学院 2022-10-25 CN disclosed
CN-104812790-B Organopolysiloxane graft polymers 花王株式会社 2019-04-12 CN disclosed
WO-2009109504-A1 ENOL CARBAMATE DERIVATIVES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-09-11 WO disclosed
US-4393079-A ANTIINFLAMMATORY AROMATIC KETONES BEECHAM GROUP LIMITED (GB) 1983-07-12 US disclosed
US-4262013-A ANTILIPEMIC AGENTS SANKYO COMPANY LIMITED (JP) 1981-04-14 US disclosed
US-4216232-A Pharmaceutical compositions BEECHAM GROUP LIMITED (GB) 1980-08-05 US disclosed
US-4198425-A ANTILIPEMIC AGENTS SANKYO COMPANY LIMITED (JP) 1980-04-15 US disclosed
US-3950427-A ANTIINFLAMMATORY, ANTIPYRETIC BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 US disclosed