SCHEMBL8714172

SCHEMBL8714172

O=C1CCCN1CC(O)N1CCCC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.56
TSHR P16473 1/20 0.50
PER2 O15055 4/20 0.47
RCE1 Q9Y256 1/20 0.46
LMNA P02545 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
CYP2C19 P33261 2/20 0.43
GAA P10253 1/20 0.43
CRY2 Q49AN0 2/20 0.43

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
SCHEMBL9011538 0.80 PIK3CD (0.64) PIK3CDTSHRPER2RCE1CYP2C19
SCHEMBL10664050 0.80 PIK3CD (0.64) PIK3CDTSHRPER2RCE1CYP2C19
SCHEMBL11121999 0.80 PIK3CD (0.55) PIK3CDTSHRPER2RCE1LMNA
SCHEMBL10823329 0.79 PIK3CD (0.69) PIK3CDTSHRPER2RCE1LMNA
SCHEMBL4660983 0.79 LMNA (0.49) PIK3CDTSHRPER2RCE1LMNA
SCHEMBL692494 0.77 LMNA (0.47) PIK3CDTSHRPER2RCE1LMNA
SCHEMBL2457545 0.77 LMNA (0.61) PIK3CDTSHRPER2LMNACA12
SCHEMBL2794323 0.77 PIK3CD (0.71) PIK3CDTSHRPER2RCE1LMNA
SCHEMBL5667905 0.76 LMNA (0.46) PIK3CDTSHRPER2RCE1LMNA
SCHEMBL1758375 0.76 PIK3CD (0.58) PIK3CDTSHRPER2RCE1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743842-A4 DRUG-CONTAINING ADHESIVE COMPOSITE TRANSDERMAL DELIVERY DEVICE THERATECH INC (US) 1998-05-06 EP disclosed
EP-0743842-A1 DRUG-CONTAINING ADHESIVE COMPOSITE TRANSDERMAL DELIVERY DEVICE THERATECH, INC. (US) 1996-11-27 EP disclosed
WO-1995024172-A1 DRUG-CONTAINING ADHESIVE COMPOSITE TRANSDERMAL DELIVERY DEVICE THERATECH, INC. (US) 1995-09-14 WO disclosed