SCHEMBL8393992

SCHEMBL8393992

CC(C)([NH])C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
LMNA P02545 2/20 0.47
HCAR2 Q8TDS4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAOB P27338 1/20 0.45
PRKCA P17252 1/20 0.45
PRKCD Q05655 1/20 0.45
PTPRC P08575 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL991531 0.85 ALDH1A1 (0.62) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL522510 0.85 ALDH1A1 (0.62) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL3756497 0.83 ALDH1A1 (0.60) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
Ammonia Solution, Strong SCHEMBL27451848 0.83 ALDH1A1 (0.60) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL28246707 0.83 ALDH1A1 (0.60) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL24347012 0.83 ALDH1A1 (0.60) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL1706652 0.83 ALDH1A1 (0.60) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL8392743 0.82 HCAR2 (0.50) ALDH1A1TDP1MAPK1L3MBTL1LMNA
SCHEMBL1809268 0.81 ALDH1A1 (0.58) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL22197278 0.81 ALDH1A1 (0.58) ALDH1A1KMT2ATDP1MAPK1L3MBTL1

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