SCHEMBL8957482

SCHEMBL8957482

CC(C)(C)c1ccc(C(CO[N+](=O)[O-])CO[N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 4/20 0.40
PTGS2 P35354 1/20 0.38
CNR1 P21554 1/20 0.37
ATM Q13315 1/20 0.35
GPR35 Q9HC97 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 4/20 0.34
ALOX15 P16050 1/20 0.34
APEX1 P27695 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL813020 0.74 GRIA4 (0.41) GRIA4ATMGPR35ALDH1A1LMNA
SCHEMBL15929169 0.74 MAPT (0.47) ALDH1A1LMNASMN1; SMN2MAPTTP53
SCHEMBL8957334 0.71 PTGS2 (0.40) PTGS2CNR1ALDH1A1LMNASMN1; SMN2
SCHEMBL29282921 0.71 GSR (0.44) GRIA4CNR1ATMGPR35ALDH1A1
SCHEMBL5608985 0.69 GRIA4 (0.41) GRIA4CNR1ATMGPR35ALDH1A1
SCHEMBL17466740 0.69 GRIA4 (0.49) GRIA4CNR1ATMGPR35ALDH1A1
SCHEMBL8957460 0.69 SLC6A2 (0.42) CNR1
SCHEMBL9706451 0.67 MAPT (0.44) GRIA4CNR1ALDH1A1LMNASMN1; SMN2
SCHEMBL31229381 0.67 CA1 (0.46) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL1772745 0.66 LMNA (0.49) GRIA4ALDH1A1LMNARECQLHSD17B10

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-0689435-A1 USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1996-01-03 EP claimed
WO-1994021248-A1 USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1994-09-29 WO claimed
EP-0689435-A1 USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1996-01-03 EP disclosed
WO-1994021248-A1 USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1994-09-29 WO disclosed