SCHEMBL8996600

SCHEMBL8996600

CCCC(C(=O)O)N(C)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.49
CRHR2 Q13324 2/20 0.49
PYCR1 P32322 1/20 0.45
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL27543880 0.78 ALDH1A1 (0.48) CRHBPCRHR2POLBGAAMAPT
SCHEMBL8009839 0.78 ANPEP (0.50) POLBGAAMAPTL3MBTL1
SCHEMBL5841702 0.76 ALDH1A1 (0.54) CRHBPCRHR2POLBGAAMAPT
SCHEMBL1226094 0.76 MEN1 (0.49) CRHBPCRHR2GAA
SCHEMBL4810294 0.75 CRHBP (0.61) CRHBPCRHR2PYCR1TMEM97SIGMAR1
SCHEMBL5204583 0.74 CRHBP (0.53) CRHBPCRHR2PYCR1
SCHEMBL7404495 0.73 CRHBP (0.48) CRHBPCRHR2
SCHEMBL19488235 0.73 CNR2 (0.47) POLBL3MBTL1
SCHEMBL1802673 0.72 CRHBP (0.60) CRHBPCRHR2PYCR1
SCHEMBL9445504 0.71 FNTA (0.47) POLBGAAMAPTL3MBTL1

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
EP-0728308-A1 USE OF CHARGED HAPTENS IN CONJUGATES E.G. FOR IMPROVING REGENERATION OF SENSOR SURFACES Biacore Aktiebolag (SE) 1996-08-28 EP disclosed
WO-1995010043-A1 USE OF CHARGED HAPTENS IN CONJUGATES E.G. FOR IMPROVING REGENERATION OF SENSOR SURFACES PHARMACIA BIOSENSOR AB (SE) 1995-04-13 WO disclosed