SCHEMBL5773846

SCHEMBL5773846

O=C(O)CCC(=O)C1COCCC1=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.32
LMNA P02545 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
GLA P06280 1/20 0.30
MT-CO2 P00403 1/20 0.30
ALOX5 P09917 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
SCHEMBL2567156 0.77 MT-CO2 (0.34) TLR4MT-CO2ALOX5
SCHEMBL2450408 0.74 SMN1; SMN2 (0.36) LMNA
SCHEMBL2446215 0.73 TNKS2 (0.34) TLR4
SCHEMBL17844887 0.73 TLR4 (0.40) TLR4GLA
SCHEMBL2446668 0.73 KMT2A (0.39) LMNA
SCHEMBL5770917 0.73 MCL1 (0.43) TLR4LMNAALKBH5SUCNR1EGLN1
SCHEMBL16503645 0.72 TLR4 (0.36) TLR4MT-CO2ALOX5
SCHEMBL2718691 0.71 MCL1 (0.50) TLR4LMNA
SCHEMBL10339687 0.70 MCL1 (0.49) TLR4LMNA
SCHEMBL5773706 0.70 MCL1 (0.49) TLR4LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885883-B1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF MITSUBISHI PHARMA CORP (JP) 2006-11-02 EP disclosed
US-6187774-B1 N-PIPERAZINYLALKYLINDAZOLE DERIVATIVES; PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP disclosed