SCHEMBL6652523

SCHEMBL6652523

CCC(N1CCCC1=O)N1CCCC1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA3 P07451 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA5A P35218 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA13 Q8N1Q1 1/20 0.59
CA14 Q9ULX7 1/20 0.59
CA5B Q9Y2D0 1/20 0.59
CHRM2 P08172 3/20 0.45
CHRM5 P08912 3/20 0.45
CHRM1 P11229 3/20 0.45
CHRM3 P20309 3/20 0.45
CHRM4 P08173 2/20 0.45
PIK3CD O00329 1/20 0.44
BRD4 O60885 1/20 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
SCHEMBL12156956 0.84 LMNA (0.61) LMNACA12CA1CA2CA3
SCHEMBL1029527 0.82 LMNA (0.47) LMNACA12CA1CA2CA3
SCHEMBL275373 0.81 LMNA (0.58) LMNACA12CA1CA2CA3
SCHEMBL13259747 0.81 LMNA (0.58) LMNACA12CA1CA2CA3
SCHEMBL10031602 0.81 LMNA (0.58) LMNACA12CA1CA2CA3
SCHEMBL4400630 0.81 LMNA (0.58) LMNACA12CA1CA2CA3
SCHEMBL23758301 0.79 LMNA (0.56) LMNACA12CA1CA2CA3
SCHEMBL1304503 0.79 LMNA (0.61) LMNACA12CA1CA2CA3
Methane SCHEMBL29452825 0.79 LMNA (0.56) LMNACA12CA1CA2CA3
SCHEMBL2457545 0.79 LMNA (0.61) LMNACA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432405-A1 IBUPROFEN SALT EMULSIFIERS AND CREAM FORMULATIONS CONTAINING SAME MacroChem Corporation (US) 2004-06-30 EP disclosed
WO-2003028702-A1 IBUPROFEN SALT EMULSIFIERS AND CREAM FORMULATIONS CONTAINING SAME MACROCHEM CORPORATION (US) 2003-04-10 WO disclosed
EP-0934080-A2 1,3-BIS-(N-LACTAMYL) PROPANE AND THE PHARMACEUTICAL AND COSMETIC USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1999-08-11 EP disclosed
WO-1998015291-A1 1,3-BIS-(N-LACTAMYL) PROPANE AND THE PHARMACEUTICAL AND COSMETIC USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1998-04-16 WO disclosed