SCHEMBL7441269

SCHEMBL7441269

CCOC(=O)C(c1ccc([N+](=O)[O-])cc1)N1CCC(=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 7/20 0.49
LMNA P02545 4/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 4/20 0.46
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
MEN1 O00255 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
POLB P06746 1/20 0.44
ADORA1 P30542 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL20481318 0.83 CHRM2 (0.53) ALDH1A1GAALMNAKDM4EKMT2A
SCHEMBL7539952 0.82 ALDH1A1 (0.45) ALDH1A1GAALMNAKDM4EKMT2A
SCHEMBL13114819 0.80 MAPT (0.62) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL7448825 0.80 KDM4E (0.45) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL13114879 0.78 ALDH1A1 (0.48) ALDH1A1GAAMAPTLMNASMN1; SMN2
SCHEMBL7436584 0.78 CYP2C19 (0.49) ALDH1A1GAAMAPTLMNAKDM4E
Phenylacetic Acid SCHEMBL20481306 0.76 CHRM2 (0.46) ALDH1A1GAALMNAKDM4EKMT2A
SCHEMBL7435164 0.76 HPGD (0.50) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL10771702 0.75 MAPT (0.57) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL4279296 0.75 MAPT (0.57) ALDH1A1GAAMAPTLMNAKDM4E

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-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed