SCHEMBL9345595

SCHEMBL9345595

O=C(O)CCS(=O)(=O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
APEX1 P27695 1/20 0.44
LMNA P02545 2/20 0.43
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EPHX2 P34913 1/20 0.36
EPHX1 P07099 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
KDM5A P29375 2/20 0.33
PHF8 Q9UPP1 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM4A O75164 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL1809554 0.86 ALDH1A1 (0.44) ALDH1A1APEX1LMNAALKBH5SUCNR1
Succinic Acid SCHEMBL5704139 0.83 ALDH1A1 (0.48) ALDH1A1APEX1LMNAALKBH5SUCNR1
SCHEMBL4459492 0.81 ALDH1A1 (0.42) ALDH1A1APEX1LMNAALKBH5SUCNR1
SCHEMBL28245171 0.80 APEX1 (0.41) ALDH1A1APEX1LMNAALKBH5SUCNR1
SCHEMBL9165562 0.79 LMNA (0.36) ALDH1A1LMNAEPHX1CTSDBACE1
SCHEMBL6406451 0.78 POLB (0.40) ALDH1A1LMNAEPHX2EPHX1POLB
SCHEMBL8142390 0.76 CA12 (0.33) EPHX2POLBRAB9A
SCHEMBL777574 0.75 CA1 (0.33)
SCHEMBL2951024 0.73 CA1 (0.32)
SCHEMBL8147652 0.72 EPHX1 (0.33) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334287-A1 NLRP3 INFLAMMASOME-INHIBITING COMPOUNDS AND THE USE THEREOF Università Degli Studi Di Torino (IT) 2024-03-13 EP disclosed
WO-2022234447-A1 NLRP3 INFLAMMASOME-INHIBITING COMPOUNDS AND THE USE THEREOF UNIVERSITA' DEGLI STUDI DI TORINO (IT) 2022-11-10 WO disclosed
US-5364959-A Storage stable compounds for detergents as bleaches MONSANTO COMPANY (US) 1994-11-15 US disclosed
US-5004558-A Bleaching detergent composition; storage stabiklity; less dye damage MONSANTO COMPANY (US) 1991-04-02 US disclosed
EP-0329013-A2 Renin-inhibiting amino acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP disclosed
US-4824591-A BLEACHES, DETERGENTS MONSANTO COMPANY (US) 1989-04-25 US disclosed
US-4758369-A Sulfone peroxycarboxylic acids MONSANTO COMPANY (US) 1988-07-19 US disclosed
EP-0267175-A2 Sulfone peroxycarboxylic acids Monsanto Company (US) 1988-05-11 EP disclosed