SCHEMBL7776533

SCHEMBL7776533

COC(=O)c1ccc(OCCCCCc2ccccc2-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
RAB9A P51151 2/20 0.60
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC3 O15379 5/20 0.49
HDAC4 P56524 5/20 0.49
HDAC1 Q13547 5/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC2 Q92769 5/20 0.49
HDAC10 Q969S8 5/20 0.49
HDAC11 Q96DB2 5/20 0.49
HDAC8 Q9BY41 5/20 0.49
HDAC6 Q9UBN7 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL7774863 0.91 MAPT (0.65) MAPTRAB9ATDP1L3MBTL1NPC1
SCHEMBL7777932 0.87 PLA2G4B (0.59) PLA2G4BFFAR1FFAR4GAA
SCHEMBL6242343 0.83 FFAR1 (0.60) MAPTRAB9ANPC1SMN1; SMN2EGFR
Terephthalic Acid SCHEMBL9455932 0.82 RARB (0.70) PLA2G4B
SCHEMBL4376261 0.82 MAPT (0.70) MAPTRAB9ATDP1L3MBTL1NPC1
SCHEMBL4359850 0.82 MAPT (0.70) MAPTRAB9ATDP1L3MBTL1NPC1
SCHEMBL7333166 0.82 MAPT (0.79) MAPTRAB9ATDP1L3MBTL1NPC1
SCHEMBL24844734 0.81 MAPT (0.90) MAPTRAB9ATDP1L3MBTL1NPC1
SCHEMBL4361268 0.80 MAPT (0.72) MAPTRAB9ATDP1L3MBTL1NPC1
Methyl Benzoate SCHEMBL31550422 0.80 MAPT (0.59) MAPTRAB9ANPC1SMN1; SMN2HDAC3

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
EP-0809622-B1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS INC (US) 2001-08-29 EP disclosed
EP-0809622-A4 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC (US) 1998-07-08 EP disclosed
EP-0809622-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1997-12-03 EP disclosed
WO-1996025383-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1996-08-22 WO disclosed
US-5530157-A NON-STEROID ANTIINFLAMMATORY DRUG SCIOS NOVA INC. (US) 1996-06-25 US disclosed