SCHEMBL8000904

SCHEMBL8000904

O=C(O)CC(F)(F)C(O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MMP12 P39900 3/20 0.42
MMP13 P45452 3/20 0.42
KEAP1 Q14145 1/20 0.42
NPY5R Q15761 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
TTR P02766 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCAT1 P54687 1/20 0.37
MME P08473 1/20 0.37

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
SCHEMBL3147148 0.77 LMNA (0.50) LMNAMMP12MMP13KEAP1NPY5R
SCHEMBL26574728 0.74 LMNA (0.52) LMNAMMP12MMP13KEAP1NPY5R
SCHEMBL8009670 0.74 TTR (0.49) LMNAKEAP1NPSR1MAPTTTR
SCHEMBL8000595 0.73 LMNA (0.48) LMNAKEAP1NPSR1MAPTTTR
SCHEMBL7622927 0.72 NPSR1 (0.47) LMNAMMP12MMP13KEAP1NPY5R
SCHEMBL11485002 0.71 MMP12 (0.52) LMNAMMP12MMP13NPY5RMAPT
SCHEMBL8009574 0.70 LMNA (0.45) LMNAKEAP1NPSR1TTRKMT2A
SCHEMBL8009573 0.70 LMNA (0.45) LMNAKEAP1NPSR1TTRKMT2A
SCHEMBL8006393 0.69 BCAT1 (0.50) LMNANPSR1MAPTTTRKMT2A
SCHEMBL5819845 0.68 LMNA (0.46) LMNAMMP12MMP13KEAP1NPY5R

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-6037361-A GELATINASE, STROMELYSIN, COLLAGENASE, AND MATRILYSIN INHIBITORS; MULTIPLE SCLEROSIS TREATMENT; BRAIN AND NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-03-14 US claimed
US-6037361-A GELATINASE, STROMELYSIN, COLLAGENASE, AND MATRILYSIN INHIBITORS; MULTIPLE SCLEROSIS TREATMENT; BRAIN AND NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-03-14 US disclosed