SCHEMBL7977952

SCHEMBL7977952

CC(NC(=O)O)(C(=O)N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
MAPK1 P28482 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
NPY1R P25929 1/20 0.44
MC4R P32245 1/20 0.44
NPY2R P49146 1/20 0.44
VCAM1 P19320 2/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 6/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.41
HSP90AA1 P07900 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL7411897 0.87 MAPK1 (0.44) LMNAMAPK1L3MBTL1NPY1RMC4R
SCHEMBL7979459 0.85 HCAR3 (0.47) LMNAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4443935 0.73 HCAR3 (0.41) LMNAMAPK1L3MBTL1ALDH1A1KMT2A
SCHEMBL7981483 0.72 PRKCI (0.39) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6821981 0.72 VCAM1 (0.53) LMNAMAPK1VCAM1ALDH1A1MEN1
SCHEMBL732303 0.71 THRB (0.49) LMNAMAPK1VCAM1ALDH1A1MEN1
SCHEMBL7416176 0.71 BCL2 (0.43) LMNAMAPK1VCAM1ALDH1A1MEN1
SCHEMBL4440995 0.71 BCL2 (0.43) LMNAMAPK1VCAM1ALDH1A1MEN1
SCHEMBL12591651 0.70 VCAM1 (0.53) LMNAMAPK1VCAM1ALDH1A1MEN1
SCHEMBL4442693 0.70 VCAM1 (0.50) LMNAMAPK1VCAM1ALDH1A1MEN1

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-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed