SCHEMBL20958147

SCHEMBL20958147

Nc1ccc(OCCC2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 1.00
HPGD P15428 8/20 0.51
HRH3 Q9Y5N1 1/20 0.50
GRM2 Q14416 1/20 0.47
MCHR1 Q99705 1/20 0.47
LTA4H P09960 2/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL14549598 0.98 NFE2L2 (0.96) NFE2L2HPGDHRH3GRM2MCHR1
SCHEMBL22260017 0.91 NFE2L2 (0.84) NFE2L2HPGDHRH3LTA4HPTGS1
SCHEMBL2562093 0.91 NFE2L2 (0.83) NFE2L2HPGDMCHR1LTA4HPTGS1
SCHEMBL507318 0.83 NFE2L2 (0.71) NFE2L2HPGDHRH3GRM2MCHR1
SCHEMBL15651091 0.83 NFE2L2 (0.71) NFE2L2TDP1
SCHEMBL23163613 0.82 NFE2L2 (0.70) NFE2L2HPGDHRH3GRM2LTA4H
SCHEMBL35212115 0.82 NFE2L2 (0.70) NFE2L2HPGDHRH3GRM2
SCHEMBL30674515 0.82 NFE2L2 (0.70) NFE2L2HPGDHRH3GRM2LTA4H
SCHEMBL30674771 0.82 NFE2L2 (0.70) NFE2L2HPGDHRH3GRM2
SCHEMBL30674531 0.82 NFE2L2 (0.70) NFE2L2HPGDHRH3GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220003753-A1 METABOLIC PROFILING FOR THE DIAGNOSIS OF A SUBSET OF IDIOPATHIC AUTISM SPECTRUM DISORDER PATIENTS, ADS PHENOTYPE 1 STALICLA SA (CH) 2022-01-06 US claimed
EP-3877540-A1 METABOLIC PROFILING FOR THE DIAGNOSIS OF A SUBSET OF IDIOPATHIC AUTISM SPECTRUM DISORDER PATIENTS, ASD PHENOTYPE 1 Stalicla S.A. (CH) 2021-09-15 EP claimed
US-11040117-B2 Treatment of a subtype of ASD Stalicla S.A. (CH) 2021-06-22 US claimed
US-20210169993-A1 TREATMENT OF A SUBTYPE OF ASD STALICLA SA (CH) 2021-06-10 US claimed
EP-3706807-A1 TREATMENT OF A SUBTYPE OF ASD Stalicla S.A. (CH) 2020-09-16 EP claimed
US-20190134152-A1 TREATMENT OF A SUBTYPE OF ASD Stalicla S.A. (CH) 2019-05-09 US claimed
US-12474327-B2 Metabolic profiling for the diagnosis of a subset of idiopathic autism spectrum disorder patients, ADS Phenotype 1 STALICLA SA (CH) 2025-11-18 US disclosed
US-20220003753-A1 METABOLIC PROFILING FOR THE DIAGNOSIS OF A SUBSET OF IDIOPATHIC AUTISM SPECTRUM DISORDER PATIENTS, ADS PHENOTYPE 1 STALICLA SA (CH) 2022-01-06 US disclosed
EP-3877540-A1 METABOLIC PROFILING FOR THE DIAGNOSIS OF A SUBSET OF IDIOPATHIC AUTISM SPECTRUM DISORDER PATIENTS, ASD PHENOTYPE 1 Stalicla S.A. (CH) 2021-09-15 EP disclosed
US-11040117-B2 Treatment of a subtype of ASD Stalicla S.A. (CH) 2021-06-22 US disclosed
US-20210169993-A1 TREATMENT OF A SUBTYPE OF ASD STALICLA SA (CH) 2021-06-10 US disclosed
EP-3706807-A1 TREATMENT OF A SUBTYPE OF ASD Stalicla S.A. (CH) 2020-09-16 EP disclosed
US-20190134152-A1 TREATMENT OF A SUBTYPE OF ASD Stalicla S.A. (CH) 2019-05-09 US disclosed