SCHEMBL8396013

SCHEMBL8396013

O=C(NCCC1CCC1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
HTT P42858 1/20 0.57
ALDH1A1 P00352 2/20 0.55
IDO1 P14902 1/20 0.54
TDO2 P48775 1/20 0.54
TGM2 P21980 1/20 0.51
KEAP1 Q14145 3/20 0.50
NFE2L2 Q16236 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TPSAB1 Q15661 1/20 0.50
TPSD1 Q9BZJ3 1/20 0.50
TPSG1 Q9NRR2 1/20 0.50
GAA P10253 1/20 0.50
CASP1 P29466 1/20 0.49
MAPT P10636 1/20 0.49
PREP P48147 1/20 0.48

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
SCHEMBL8391394 0.97 MEN1 (0.63) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL8393628 0.96 MEN1 (0.65) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL8393973 0.96 MEN1 (0.65) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL8396587 0.94 LMNA (0.63) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL8392818 0.92 HTT (0.62) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL8395610 0.89 HTT (0.62) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL30500860 0.89 MEN1 (0.52) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL5263741 0.89 MEN1 (0.55) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL5263738 0.89 MEN1 (0.55) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL8392487 0.88 MEN1 (0.62) LMNASMN1; SMN2MEN1KMT2AHTT

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