SCHEMBL8156906

SCHEMBL8156906

C=CCCCCCCCCCN1CCCOC1=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
KDM4E B2RXH2 1/20 0.33
GRM2 Q14416 2/20 0.33
PER2 O15055 1/20 0.32
CRY2 Q49AN0 1/20 0.32
PDK2 Q15119 1/20 0.31
LPAR2 Q9HBW0 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30
ABCC4 O15439 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL8157458 0.95 PIK3CD (0.41) PIK3CDKDM4ELPAR2LPAR3
SCHEMBL8157044 0.90 KDM4E (0.41) PIK3CDKDM4ELPAR2LPAR3ABCC4
SCHEMBL8391424 0.86 PIK3CD (0.46) PIK3CDKDM4EGRM2PER2CRY2
SCHEMBL8150832 0.81 PIK3CD (0.45) PIK3CD
SCHEMBL4870336 0.79 PIK3CD (0.49) PIK3CDKDM4EGRM2PER2CRY2
SCHEMBL8516440 0.77 PIK3CD (0.54) PIK3CDKDM4EGRM2MAPT
SCHEMBL8158607 0.77 MGLL (0.43) PIK3CDLPAR2LPAR3
SCHEMBL4439323 0.76 KDM4E (0.45) PIK3CDKDM4EGRM2PER2CRY2
SCHEMBL10337440 0.76 KDM4E (0.42) PIK3CDKDM4EGRM2PER2CRY2
SCHEMBL20733171 0.75 PIK3CD (0.51) PIK3CDKDM4EGRM2PER2CRY2

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