SCHEMBL10488388

SCHEMBL10488388

CCOC(=O)CCCOc1ccc([N+](=O)[O-])cc1C=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 7/20 0.49
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ERN1 O75460 1/20 0.45
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.44
MAPK1 P28482 3/20 0.43
CYP2D6 P10635 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
MEN1 O00255 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
SCHEMBL7799400 0.88 MAPT (0.55) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL10435531 0.85 ALDH1A1 (0.49) MAPTKDM4EALDH1A1TDP1LMNA
SCHEMBL18088093 0.84 MAPT (0.54) MAPTKDM4EALDH1A1TDP1LMNA
SCHEMBL2839813 0.83 MAPT (0.55) MAPTKDM4EALDH1A1TDP1LMNA
SCHEMBL28825735 0.82 MAPT (0.55) MAPTALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL31327257 0.82 MAPT (0.55) MAPTALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL4998777 0.82 MAPT (0.56) MAPTKDM4EALDH1A1TDP1LMNA
SCHEMBL5212431 0.81 MAPT (0.54) MAPTKDM4EALDH1A1TDP1LMNA
SCHEMBL215546 0.81 CYP19A1 (0.54) MAPTALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL5550248 0.80 PTGDR2 (0.57) MAPTKDM4EALDH1A1TDP1LMNA

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
US-4873254-A ADRENERGIC BLOCKING AGENTS OR CALCIUM CHANNEL BLOCKERS; HYPOTENSIVE AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-10-10 US disclosed
EP-0194751-A1 Dihydropyridine alkanol amines, process for their preparation and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-09-17 EP disclosed