SCHEMBL9492401

SCHEMBL9492401

COC(=O)C1=C(C)NC(C)=C(C(=O)[C@@]2(O)CO[C@@H]3[C@@H](O)CO[C@@H]32)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
CYP1A2 P05177 4/20 0.58
CYP3A4 P08684 4/20 0.58
CYP2C9 P11712 4/20 0.58
CYP2C19 P33261 4/20 0.58
HIF1A Q16665 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 3/20 0.58
CYP2D6 P10635 3/20 0.58
TSHR P16473 2/20 0.58
POLB P06746 1/20 0.58
MAPK1 P28482 1/20 0.58
GPR55 Q9Y2T6 1/20 0.58
NFKB1 P19838 1/20 0.58
THPO P40225 1/20 0.58
NR3C2 P08235 1/20 0.57
ADORA3 P0DMS8 3/20 0.52
CACNA1C Q13936 3/20 0.52
CACNA1F O60840 2/20 0.52

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
SCHEMBL10777470 1.00 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10777521 0.92 MEN1 (0.57) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10782017 0.92 CACNA1F (0.65) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10782134 0.91 MEN1 (0.61) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10781991 0.90 MAPT (0.56) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11000189 0.90 MAPT (0.56) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10778439 0.89 HIF1A (0.55) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10777467 0.89 HIF1A (0.55) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10992458 0.87 CACNA1F (0.54) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10777426 0.86 ADORA3 (0.51) MAPTMEN1KMT2ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0361156-B1 PHARMACEUTICALS Heinrich Mack Nachf. (DE) 1993-03-10 EP claimed
EP-0361156-A2 Pharmaceuticals Heinrich Mack Nachf. (DE) 1990-04-04 EP claimed
EP-0114270-B1 ACYL DERIVATIVES OF 1,4:3,6-DIANHYDRO-HEXITOLES, METHOD FOR THEIR PREPARATION AND THEIR PHARMAZEUTICAL USE Heinrich Mack Nachf. (DE) 1987-04-01 EP claimed
US-4559351-A Dihydropyridine derivatives of 1,4:3,6-dianhydrohexitols HEINRICH MACK NACHF. (DE) 1985-12-17 US claimed
EP-0114270-A1 Acyl derivatives of 1,4:3,6-dianhydro-hexitoles, method for their preparation and their pharmazeutical use Heinrich Mack Nachf. (DE) 1984-08-01 EP claimed
JP-2160790-A None JP disclosed
EP-0361156-B1 PHARMACEUTICALS Heinrich Mack Nachf. (DE) 1993-03-10 EP disclosed
JP-H02160790-A ACYL DERIVATIVE OF DIANHYDROHEXYTOL NACHF HEINRICH MACK 1990-06-20 JP disclosed
EP-0361156-A2 Pharmaceuticals Heinrich Mack Nachf. (DE) 1990-04-04 EP disclosed
EP-0114270-B1 ACYL DERIVATIVES OF 1,4:3,6-DIANHYDRO-HEXITOLES, METHOD FOR THEIR PREPARATION AND THEIR PHARMAZEUTICAL USE Heinrich Mack Nachf. (DE) 1987-04-01 EP disclosed
US-4559351-A Dihydropyridine derivatives of 1,4:3,6-dianhydrohexitols HEINRICH MACK NACHF. (DE) 1985-12-17 US disclosed
EP-0114270-A1 Acyl derivatives of 1,4:3,6-dianhydro-hexitoles, method for their preparation and their pharmazeutical use Heinrich Mack Nachf. (DE) 1984-08-01 EP disclosed