SCHEMBL7442298

SCHEMBL7442298

O=C(CCC1(O)CCCCC1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
NOTUM Q6P988 1/20 0.43
LMNA P02545 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL8779517 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1DDB1CRBN
SCHEMBL3399492 0.81 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1DDB1CRBN
SCHEMBL23956955 0.79 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1DDB1CRBN
SCHEMBL18780918 0.79 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1DDB1CRBN
SCHEMBL1177836 0.77 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1NOTUMLMNA
SCHEMBL7383260 0.75 DDB1 (0.55) ALDH1A1MAPK1L3MBTL1DDB1CRBN
SCHEMBL395429 0.74 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1DDB1CRBN
Cyclopropane SCHEMBL29003079 0.74 ALDH1A1 (0.69) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL15777771 0.73 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1DDB1CRBN
SCHEMBL23540853 0.73 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1DDB1CRBN

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850120-A Preparation method of alcohol alpha-carbon hydrogen bond alkylated compound 浙江工业大学 2023-03-28 CN disclosed
EP-0535042-B1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1995-03-29 EP disclosed
US-5348978-A Angiotensin converting enzyme inhibitors FISONS PLC (GB) 1994-09-20 US disclosed
EP-0535042-A1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS. FISONS PLC (GB) 1993-04-07 EP disclosed
WO-1992000276-A2 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1992-01-09 WO disclosed