SCHEMBL8157591

SCHEMBL8157591

CCC(CC)CCN1CCCCOC1=O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.50
GRM2 Q14416 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PER2 O15055 1/20 0.33
CRY2 Q49AN0 1/20 0.33

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
SCHEMBL8163857 0.95 PIK3CD (0.56) PIK3CDGRM2KDM4EPER2CRY2
SCHEMBL8157457 0.88 KDM4E (0.43) PIK3CDGRM2KDM4EPER2CRY2
SCHEMBL21990966 0.77 PIK3CD (0.46) PIK3CDGRM2KDM4EPER2CRY2
SCHEMBL12251950 0.75 PIK3CD (0.59) PIK3CDGRM2KDM4EPER2CRY2
SCHEMBL19185719 0.75 PIK3CD (0.46) PIK3CD
SCHEMBL4874421 0.74 PIK3CD (0.43) PIK3CDGRM2KDM4E
SCHEMBL24909657 0.73 PIK3CD (0.89) PIK3CDGRM2KDM4EPER2CRY2
SCHEMBL8516440 0.71 PIK3CD (0.54) PIK3CDGRM2KDM4E
SCHEMBL6360878 0.71
SCHEMBL8272699 0.70

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