SCHEMBL10915306

SCHEMBL10915306

CCOC(=O)Oc1c(C)nc(C)c(OC(=O)OCCO)c1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ CACNA1F O60840 4/20 0.43
▸ CACNA1D Q01668 4/20 0.43
▸ CACNA1S Q13698 4/20 0.43
▸ CACNA1C Q13936 4/20 0.43
▸ ACHE P22303 2/20 0.43
▸ CACNB4 O00305 1/20 0.43
▸ CACNA1A O00555 1/20 0.43
▸ CACNA1G O43497 1/20 0.43
▸ CACNG3 O60359 1/20 0.43
▸ CACNA1H O95180 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ CACNB3 P54284 1/20 0.43
▸ CACNA2D1 P54289 1/20 0.43
▸ CACNG7 P62955 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ CACNB1 Q02641 1/20 0.43
▸ CACNG1 Q06432 1/20 0.43
▸ CACNB2 Q08289 1/20 0.43
▸ CACNA1E Q15878 1/20 0.43

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
SCHEMBL10923467 0.97 ALDH1A1 (0.44) MAPTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10911007 0.94 ALDH1A1 (0.46) MAPTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10913778 0.91 CACNA1F (0.47) MAPTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10913546 0.91 MEN1 (0.42) MAPTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10923043 0.89 AKR1C3 (0.40) MAPTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10913336 0.89 PDE1C (0.45) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL10914210 0.89 ALDH1A1 (0.44) MAPTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10920218 0.88 ALDH1A1 (0.41) MAPTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10924663 0.88 MAPT (0.46) MAPTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10921757 0.88 KMT2A (0.47) MAPTCACNA1FCACNA1DCACNA1SCACNA1C

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-0088940-B1 PYRIDINE-CARBOXYLIC-ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BAYER AG (DE) 1986-05-21 — — EP disclosed
EP-0088938-B1 USE OF PYRIDINE COMPOUNDS FOR THE MANUFACTURE OF MEDICAMENTS WITH AN ANTIHYPOXEMIA AND ISCHEMIA-PROTECTIVE ACTIVITY BAYER AG (DE) 1986-04-30 — — EP disclosed
EP-0088938-A1 Use of pyridine compounds for the manufacture of medicaments with an antihypoxemia and ischemia-protective activity BAYER AG (DE) 1983-09-21 — — EP disclosed
EP-0088940-A1 Pyridine-carboxylic-acid esters, process for their preparation and their use as pharmaceutical compositions BAYER AG (DE) 1983-09-21 — — EP disclosed
Send feedback