SCHEMBL8994450

SCHEMBL8994450

S=C(c1c[c]ccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HSP90AA1 P07900 1/20 0.34
GAA P10253 1/20 0.34
CES1 P23141 4/20 0.33
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CES2 O00748 3/20 0.32
RECQL P46063 2/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
C1S P09871 1/20 0.32

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
SCHEMBL329591 0.78 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL27887423 0.77 SNCA (0.35) ALDH1A1MAPTKMT2AL3MBTL1CES1
SCHEMBL6971606 0.76
SCHEMBL28574890 0.75 MAPT (0.48) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL27875154 0.75 MAPT (0.48) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL608947 0.74 KMT2A (0.44) ALDH1A1MAPTKMT2AMEN1L3MBTL1
SCHEMBL315777 0.74 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL129247 0.73
SCHEMBL28762858 0.71 TSHR (0.50) ALDH1A1KMT2AMEN1HPGDGAA
SCHEMBL6971704 0.71 GAA (0.35) ALDH1A1HPGDGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380900-A α-methylenecyclopentanone derivative and process for producing the same NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1995-01-10 US claimed
EP-0501426-B1 Alpha-methylenecyclopentanone derivative and process for producing the same NISSAN CHEMICAL IND LTD (JP) 1996-08-21 EP disclosed
US-5380900-A α-methylenecyclopentanone derivative and process for producing the same NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1995-01-10 US disclosed
EP-0501426-A1 Alpha-methylenecyclopentanone derivative and process for producing the same NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-09-02 EP disclosed