SCHEMBL7635767

SCHEMBL7635767

CC(C)(C)C(=O)Oc1ccc(Cn2cccn2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
USP2 O75604 1/20 0.42
KAT7 O95251 2/20 0.42
KAT6A Q92794 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KLKB1 P03952 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 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
SCHEMBL7630112 0.83 PPARG (0.41) HTTGAAMAPTLMNASMN1; SMN2
SCHEMBL8380679 0.79 POLB (0.43) MAPTNPSR1KLKB1
SCHEMBL8383297 0.77 ADRB3 (0.48) HTTHDAC1HDAC6MEN1KMT2A
SCHEMBL8384881 0.77 GAA (0.46) HTTHDAC1HDAC6MEN1KMT2A
SCHEMBL18235820 0.77 GAA (0.59) HTTHDAC1HDAC6MEN1KMT2A
SCHEMBL8380240 0.76 GAA (0.50) HTTHDAC1HDAC6MEN1KMT2A
SCHEMBL8840688 0.76 HDAC1 (0.46) HTTHDAC1HDAC6MEN1KMT2A
SCHEMBL8840665 0.76 HTT (0.43) HTTHDAC1HDAC6MEN1KMT2A
SCHEMBL7630025 0.75 HDAC1 (0.45) HTTHDAC1HDAC6MEN1KMT2A
SCHEMBL7628046 0.74 ELANE (0.45) MEN1KMT2ATSHRLMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754683-B1 ETHER COMPOUND, USE THEREOF, AND INTERMEDIATE FOR PRODUCING THE COMPOUND SUMITOMO CHEMICAL CO (JP) 2002-08-14 EP disclosed
CN-1079794-C Ether compound, use thereof, and intermediate for producing the compound SUMITOMO CHEM IND (JP) 2002-02-27 CN disclosed
US-5972949-A COMPOUNDS SUCH AS 4-(1-PYRAZOLYL)METHYLPHENYL 2-(2-PYRIMIDYLOXY) ETHYL ETHER; INSECTICIDAL AND/OR ACARICIDAL AGENTS SUMITO CHEMICAL CO., LTD. (JP) 1999-10-26 US disclosed
US-5883262-A INSECTICIDES, ACARICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-16 US disclosed
US-5684022-A ANTIFERTILITY AGENT PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-11-04 US disclosed
CN-1149289-A Ether compounds, their use and intermediates for their preparation SUMITOMO CHEMICAL CO (JP) 1997-05-07 CN disclosed
EP-0757048-A1 ETHER COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-02-05 EP disclosed
EP-0754683-A1 ETHER COMPOUND, USE THEREOF, AND INTERMEDIATE FOR PRODUCING THE COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-01-22 EP disclosed