SCHEMBL8009670

SCHEMBL8009670

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.49
LMNA P02545 1/20 0.49
BCAT1 P54687 6/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KEAP1 Q14145 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2B P41595 1/20 0.39

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
SCHEMBL8000595 0.91 LMNA (0.48) TTRLMNABCAT1NPC1RAB9A
SCHEMBL8015805 0.86 SLC22A12 (0.42) TTRLMNABCAT1NPC1RAB9A
SCHEMBL8000361 0.86 BCAT1 (0.44) TTRLMNABCAT1NPC1RAB9A
SCHEMBL8010016 0.85 MAPT (0.36) TTRLMNABCAT1NPC1RAB9A
SCHEMBL8009573 0.85 LMNA (0.45) TTRLMNABCAT1NPC1RAB9A
SCHEMBL8009574 0.85 LMNA (0.45) TTRLMNABCAT1NPC1RAB9A
SCHEMBL8006393 0.82 BCAT1 (0.50) TTRLMNABCAT1NPC1RAB9A
SCHEMBL8012440 0.77 BCAT1 (0.46) TTRLMNABCAT1NPC1RAB9A
SCHEMBL8012438 0.77 BCAT1 (0.46) TTRLMNABCAT1NPC1RAB9A
SCHEMBL1222307 0.76 TTR (0.78) TTRLMNABCAT1NPC1RAB9A

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