SCHEMBL8395472

SCHEMBL8395472

O=C(NCCCC1CCCCCC1)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HTT P42858 1/20 0.60
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TGM2 P21980 1/20 0.54
KEAP1 Q14145 3/20 0.53
NFE2L2 Q16236 3/20 0.53
CASP1 P29466 1/20 0.52
EPHX1 P07099 1/20 0.51
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
RAB9A P51151 1/20 0.49
ADAMTS4 O75173 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
TPSAB1 Q15661 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.48
TPSG1 Q9NRR2 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
SCHEMBL8392487 1.00 MEN1 (0.62) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL8395610 0.99 HTT (0.62) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL8392818 0.96 HTT (0.62) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL8393267 0.93 HTT (0.65) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL8393973 0.92 MEN1 (0.65) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL8393628 0.92 MEN1 (0.65) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL8391394 0.91 MEN1 (0.63) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL8396013 0.88 LMNA (0.60) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL8396568 0.87 HRH4 (0.56) MEN1KMT2ASMN1; SMN2EPHX1HRH4
SCHEMBL8393364 0.87 HRH4 (0.56) MEN1KMT2ASMN1; SMN2EPHX1HRH4

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