SCHEMBL9026786

SCHEMBL9026786

CCCC(=O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
ABCC4 O15439 1/20 0.60
GAA P10253 1/20 0.60
TSHR P16473 1/20 0.60
PTGS1 P23219 1/20 0.60
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 3/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TDP1 Q9NUW8 1/20 0.53
FFAR1 O14842 2/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MMP12 P39900 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.47
HRH3 Q9Y5N1 2/20 0.46
RORC P51449 1/20 0.46

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
SCHEMBL107900 0.88 L3MBTL1 (0.59) TSHRL3MBTL1HPGDSMN1; SMN2TDP1
SCHEMBL8084575 0.86 MEN1 (0.55) LMNAABCC4GAATSHRPTGS1
SCHEMBL8620935 0.85 L3MBTL1 (0.56) TSHRL3MBTL1HPGDSMN1; SMN2TDP1
Acetone SCHEMBL7728200 0.85 L3MBTL1 (0.56) TSHRL3MBTL1HPGDSMN1; SMN2TDP1
SCHEMBL12923057 0.85 LMNA (0.64) LMNAABCC4GAATSHRPTGS1
SCHEMBL11879591 0.84 LMNA (0.75) LMNAABCC4GAATSHRPTGS1
SCHEMBL11622858 0.84 PPARG (0.47) LMNAGAAL3MBTL1HPGDKMT2A
SCHEMBL22570782 0.83 LMNA (0.68) LMNAABCC4GAATSHRPTGS1
SCHEMBL3381526 0.83 LMNA (0.62) LMNAABCC4GAATSHRPTGS1
SCHEMBL11142957 0.82 L3MBTL1 (0.50) LMNAGAAHTTL3MBTL1HPGD

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
EP-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 EP disclosed