SCHEMBL21995699

SCHEMBL21995699

C=C(CCCCCCCCCCCCCCCCC)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.54
TSHR P16473 7/20 0.48
DGKA P23743 1/20 0.48
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
GPR84 Q9NQS5 6/20 0.45
PPARG P37231 6/20 0.45
PPARD Q03181 6/20 0.45
PPARA Q07869 6/20 0.45
HDAC11 Q96DB2 5/20 0.45
ALDH1A1 P00352 2/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
PTPN1 P18031 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL375247 1.00 FAAH (0.54) FAAHTSHRDGKACES2CES1
SCHEMBL375248 1.00 FAAH (0.54) FAAHTSHRDGKACES2CES1
SCHEMBL375396 1.00 FAAH (0.54) FAAHTSHRDGKACES2CES1
SCHEMBL375026 1.00 FAAH (0.54) FAAHTSHRDGKACES2CES1
SCHEMBL65837 1.00 FAAH (0.54) FAAHTSHRDGKACES2CES1
SCHEMBL375675 1.00 FAAH (0.54) FAAHTSHRDGKACES2CES1
SCHEMBL3504005 1.00 FAAH (0.54) FAAHTSHRDGKACES2CES1
SCHEMBL374914 1.00 FAAH (0.54) FAAHTSHRDGKACES2CES1
SCHEMBL375391 1.00 FAAH (0.54) FAAHTSHRDGKACES2CES1
SCHEMBL375152 1.00 FAAH (0.54) FAAHTSHRDGKACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024840-A1 SELECTIVE TERMINAL FUNCTIONALIZATION OF ALKANES TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2022-01-27 US disclosed
EP-3887531-A1 SELECTIVE TERMINAL FUNCTIONALIZATION OF ALKANES TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2021-10-06 EP disclosed
WO-2020110125-A1 SELECTIVE TERMINAL FUNCTIONALIZATION OF ALKANES TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2020-06-04 WO disclosed