SCHEMBL9714809

SCHEMBL9714809

C=COC(=O)C=Cc1ccccc1.C=COC(=O)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
AKR1B10 O60218 2/20 0.46
AKR1B1 P15121 2/20 0.46
NPC1 O15118 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GLA P06280 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 1/20 0.43
TNKS O95271 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL312612 0.87 MAPT (0.55) LMNAAKR1B10AKR1B1NPC1GLA
SCHEMBL312613 0.87 MAPT (0.55) LMNAAKR1B10AKR1B1NPC1GLA
Propene SCHEMBL28169113 0.86 GLA (0.52) LMNAAKR1B10AKR1B1NPC1GLA
Chloromethane SCHEMBL27573509 0.86 GLA (0.52) LMNAAKR1B10AKR1B1NPC1L3MBTL1
Acetic Acid SCHEMBL28099305 0.86 GLA (0.56) LMNAAKR1B10AKR1B1NPC1GLA
Acetic Acid SCHEMBL27756791 0.86 GLA (0.56) LMNAAKR1B10AKR1B1NPC1GLA
Propene SCHEMBL28169115 0.86 GLA (0.52) LMNAAKR1B10AKR1B1NPC1GLA
Ethylene SCHEMBL28061334 0.86 MAPT (0.53) LMNAAKR1B10AKR1B1NPC1GLA
Ethylene SCHEMBL28061335 0.86 MAPT (0.53) LMNAAKR1B10AKR1B1NPC1GLA
SCHEMBL28215687 0.84 GLA (0.55) LMNAAKR1B10AKR1B1NPC1GLA

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-0513331-A1 AZEOTROPIC ASSISTED TRANSVINYLATION TECHNOLOGY UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-11-19 EP disclosed
WO-1992009554-A1 AZEOTROPIC ASSISTED TRANSVINYLATION TECHNOLOGY UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-06-11 WO disclosed