SCHEMBL7372181

SCHEMBL7372181

CCCN(COC)C(=O)C(C(N)=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.51
PARP10 Q53GL7 1/20 0.45
FFAR1 O14842 3/20 0.44
BCHE P06276 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7366752 0.77 CYP19A1 (0.45) ALOX5L3MBTL1
SCHEMBL7366435 0.73 MBTPS1 (0.47) ALOX5
SCHEMBL8894460 0.72 ALOX5 (0.63) ALOX5PARP10MEN1KMT2A
SCHEMBL2170633 0.72 ALOX5 (0.67) ALOX5PARP10
SCHEMBL31579489 0.72 LTA4H (0.60) ALOX5FFAR1L3MBTL1
SCHEMBL7761599 0.71 NR4A1 (0.62) ALOX5PARP10FFAR1
SCHEMBL11099357 0.71 LTA4H (0.56) ALOX5PARP10FFAR1L3MBTL1
SCHEMBL4435910 0.71 ALOX5 (0.58) ALOX5PARP10FFAR1L3MBTL1
SCHEMBL2716599 0.71 LMNA (0.68) ALOX5FFAR1L3MBTL1
SCHEMBL28724154 0.69 LMNA (0.70) ALOX5PARP10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO claimed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO disclosed