SCHEMBL8157458

SCHEMBL8157458

C=CCCCCCCCCCN1CCCCOC1=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
KDM4E B2RXH2 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
FAAH O00519 1/20 0.31

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
SCHEMBL8156906 0.95 PIK3CD (0.45) PIK3CDKDM4ELPAR2LPAR3
SCHEMBL8157044 0.89 KDM4E (0.41) PIK3CDKDM4ELPAR2LPAR3FAAH
SCHEMBL8391424 0.81 PIK3CD (0.46) PIK3CDKDM4E
SCHEMBL8158607 0.81 MGLL (0.43) PIK3CDLPAR2LPAR3FAAH
SCHEMBL4874286 0.78 PIK3CD (0.42) PIK3CDKDM4E
SCHEMBL8150832 0.77 PIK3CD (0.45) PIK3CDFAAH
SCHEMBL8076187 0.76 L3MBTL1 (0.38) PIK3CD
SCHEMBL4439323 0.75 KDM4E (0.45) PIK3CDKDM4E
SCHEMBL10337440 0.74 KDM4E (0.42) PIK3CDKDM4EFAAH
SCHEMBL4870336 0.74 PIK3CD (0.49) PIK3CDKDM4E

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
US-6086905-A Topical compositions useful as skin penetration barriers DISCOVERY THERAPEUTICS, INC. 2000-07-11 US disclosed