SCHEMBL8092825

SCHEMBL8092825

CCCC(=O)NC1=C(C(CC)CC)c2ccccc2C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.66
PAX8 Q06710 1/20 0.66
HKDC1 Q2TB90 1/20 0.66
TLR9 Q9NR96 1/20 0.66
PTPRC P08575 2/20 0.53
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 3/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
TERT O14746 2/20 0.43
NSD2 O96028 1/20 0.42
TTR P02766 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL8102275 0.92 TDP2 (0.56) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8108823 0.88 MAPT (0.57) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8106290 0.87 TDP2 (0.68) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8102645 0.84 TDP2 (0.60) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8102520 0.84 HSP90AA1 (0.58) TDP2PAX8HKDC1TLR9RAB9A
SCHEMBL8103069 0.83 TDP2 (0.59) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8092733 0.83 TDP2 (0.62) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8092951 0.83 TDP2 (0.59) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8108508 0.81 MAPT (0.43) TDP2PAX8HKDC1TLR9RAB9A
SCHEMBL8106255 0.81 TDP2 (0.71) TDP2PAX8HKDC1TLR9PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100263-A CONTROLLING ANIMAL PESTS OR HARMFUL FUNGI; 2-METHOXYIMINO-2-(2'-(1?-METHYL,1?-(1?'-(6??-(4??'-CHLOROPHENYL) -HEXYLOXYIMINO) ,2?',2?'-DIMETHYLPROPYL))IMINOOXYMETHYL)-PHENYLACETIC ACID MONOMETHYLAMIDE, FOR EXAMPLE BASF AKTIENGESELLSCHAFT (DE) 2000-08-08 US disclosed
US-6013674-A INDENONE AMIDE DERIVATIVES, USEFUL FOR FOR THE INHIBITION OF LEUKOCYTE ADHERENCE TO ENDOTHELIAL CELLS; USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES, AS ARTHRITIS, ASTHAMA, PSORIASIS, RESPIRATORY DISTRESS SYNDROME, STROKE AND ULCER ELI LILLY AND COMPANY (US) 2000-01-11 US disclosed
US-5889059-A PESTICIDE OR FUNGICIDE BASF AKTIENGESELLSCHAFT (DE) 1999-03-30 US disclosed
EP-0882706-A1 Cell adhesion inhibitors ELI LILLY AND COMPANY (US) 1998-12-09 EP disclosed