SCHEMBL9169459

SCHEMBL9169459

C=CC(=O)C(=O)[C@H](NC)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE4A P27815 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4669389 0.84 LMNA (0.34) KDM4ELMNAL3MBTL1PDE4ATDP1
SCHEMBL5535453 0.77 PDE4A (0.52) KDM4ELMNAL3MBTL1PDE4ATDP1
SCHEMBL5534607 0.77 PDE4A (0.52) KDM4ELMNAL3MBTL1PDE4ATDP1
SCHEMBL875592 0.74 PDE4A (0.54) KDM4ELMNAL3MBTL1PDE4ATDP1
SCHEMBL17537229 0.74 KDM4E (0.48) KDM4ELMNAL3MBTL1PDE4ATDP1
SCHEMBL5682504 0.74 USP2 (0.55) KDM4ELMNAL3MBTL1PDE4ATDP1
SCHEMBL13010836 0.73 KDM4E (0.47) KDM4ELMNAL3MBTL1PDE4ATDP1
SCHEMBL13010838 0.73 KDM4E (0.47) KDM4ELMNAL3MBTL1PDE4ATDP1
SCHEMBL3873056 0.72 KDM4E (0.39) KDM4ELMNAL3MBTL1PDE4ATDP1
Mannitol SCHEMBL21456852 0.69 PDE4A (0.56) KDM4ELMNAL3MBTL1PDE4ATDP1

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
US-5062995-A Biodegradation LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-11-05 US claimed
EP-0441563-A2 Detergent compositions containing vinyl carbamate compounds UNILEVER PLC (GB) 1991-08-14 EP claimed
EP-0441563-B1 Detergent compositions containing vinyl carbamate compounds UNILEVER PLC (GB) 1995-05-24 EP disclosed
US-5062995-A Biodegradation LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1991-11-05 US disclosed
EP-0441563-A2 Detergent compositions containing vinyl carbamate compounds UNILEVER PLC (GB) 1991-08-14 EP disclosed