SCHEMBL8395805

SCHEMBL8395805

CC([NH])C(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
PKM P14618 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42

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
SCHEMBL6332947 0.83 ALDH1A1 (0.57) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL3712422 0.83 ALDH1A1 (0.57) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL6330365 0.83 ALDH1A1 (0.57) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL738198 0.82 SMN1; SMN2 (0.54) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL762984 0.80 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL5778346 0.80 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL13912231 0.80 SMN1; SMN2 (0.58) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL2115037 0.80 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL3054776 0.80 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL8395972 0.79 ALDH1A1 (0.42) SMN1; SMN2GAAKMT2AALDH1A1MEN1

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-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed