SCHEMBL8084566

SCHEMBL8084566

COC(=O)C(CCCc1ccccc1)[C@H](OC)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSK P43235 1/20 0.41
HPGD P15428 1/20 0.41
GRIK1 P39086 1/20 0.41

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
SCHEMBL8077436 0.94 FAAH (0.47)
SCHEMBL8084641 0.94 GRIK1 (0.44) KMT2ACYP2D6CYP2C9CYP2C19LMNA
SCHEMBL16156176 0.84 KMT2A (0.48) KMT2ACYP2D6CYP2C9CYP2C19LMNA
SCHEMBL6190476 0.84 KMT2A (0.48) KMT2ACYP2D6CYP2C9CYP2C19LMNA
SCHEMBL16149006 0.84 KMT2A (0.48) KMT2ACYP2D6CYP2C9CYP2C19LMNA
SCHEMBL8085467 0.83 GRIK1 (0.48) KMT2ACYP2D6CYP2C9CYP2C19LMNA
SCHEMBL8085443 0.83 GRIK1 (0.48) KMT2ACYP2D6CYP2C9CYP2C19LMNA
SCHEMBL28742911 0.82 KMT2A (0.47) KMT2ACYP2D6CYP2C9CYP2C19LMNA
SCHEMBL5955015 0.81 FKBP1A (0.46) KMT2ACYP2D6MEN1CTSK
SCHEMBL5955017 0.81 FKBP1A (0.46) KMT2ACYP2D6MEN1CTSK

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
EP-0835240-B1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 2000-11-02 EP disclosed
US-5917090-A INHIBIT TUMOR NECROSIS FACTOR; ANTIARTHRITIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 1999-06-29 US disclosed
EP-0835240-A1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-04-15 EP disclosed
WO-1997002239-A1 MATRIX METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-01-23 WO disclosed