SCHEMBL22986927

SCHEMBL22986927

C=C(CCCCCCCCCCCCCCC)C(N)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
PPARG P37231 5/20 0.38
PPARD Q03181 5/20 0.38
PPARA Q07869 5/20 0.38
HDAC11 Q96DB2 4/20 0.38
TSHR P16473 3/20 0.38
GPR84 Q9NQS5 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
PTPN1 P18031 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
MEN1 O00255 1/20 0.38
ESR1 P03372 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL29328248 0.83 OPRM1 (0.39) SPHK2SPHK1CES2CES1ALDH1A1
SCHEMBL11206177 0.81
SCHEMBL23374166 0.80 SPHK1 (0.43) SPHK2SPHK1CES2CES1PPARG
SCHEMBL30184911 0.76 CES2 (0.41) CES2CES1TSHRGPR84ALDH1A1
SCHEMBL8592310 0.76 SPHK2 (0.48) SPHK2SPHK1CES2CES1PPARG
SCHEMBL12128370 0.75 ANPEP (0.34) SPHK2SPHK1
SCHEMBL25110725 0.75 CES2 (0.44) CES2CES1PPARGPPARDPPARA
SCHEMBL18819438 0.75 CES2 (0.44) CES2CES1PPARGPPARDPPARA
SCHEMBL23844952 0.75 CES2 (0.44) CES2CES1PPARGPPARDPPARA
SCHEMBL18660169 0.75 CES2 (0.44) CES2CES1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3777891-A1 ARTIFICIALLY SYNTHESIZED SPHINGOSINE DERIVATIVE LIPOID MONOMER AND USE OF SAME FOR DELIVERING NUCLEIC ACID Institute of Basic Medical Sciences, Chinese Academi of Medical Sciences (CN) 2021-02-17 EP disclosed