SCHEMBL9003370

SCHEMBL9003370

CCCCCCCCCCCCCCCCCC(=O)N(CCO)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
DNM1 Q05193 1/20 0.41
KDM5A P29375 1/20 0.41
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 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
SCHEMBL28139145 0.91 CNR1 (0.56) CNR1CNR2TRPV1PPARGPPARD
SCHEMBL27519107 0.89 KDM5A (0.46) CES2CES1KDM5AGPR84PPARG
SCHEMBL27547411 0.84 KDM5A (0.54) KDM5AGPR84PPARGPPARDPPARA
SCHEMBL9836722 0.83 CES2 (0.46) CES2CES1GPR84PPARGPPARD
SCHEMBL28002571 0.81 DNM1 (0.41) CES2CES1DNM1KDM5ATSHR
SCHEMBL18992933 0.81 ALDH1A1 (0.45) CES2CES1GPR84PPARGPPARD
SCHEMBL9836452 0.79 DNM1 (0.45) CES2CES1DNM1KDM5AGPR84
SCHEMBL9835279 0.79 DNM1 (0.45) CES2CES1DNM1KDM5AGPR84
SCHEMBL9835764 0.79 DNM1 (0.45) CES2CES1DNM1KDM5AGPR84
SCHEMBL284784 0.77 CES2 (0.48) CES2CES1CNR1GPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8095257-A None JP disclosed
JP-H0895257-A AQUEOUS DEVELOPER FOR PHOTOSENSITIVE FLEXOGRAPHIC PLATE NIPPON ZEON CO LTD 1996-04-12 JP disclosed