SCHEMBL20021068

SCHEMBL20021068

CC(C)CCC(C)C/C=C/C/C=C/C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.36
▸ BLM P54132 3/20 0.34
▸ GABRR1 P24046 2/20 0.34
▸ GABRR2 P28476 2/20 0.34
▸ GABRR3 A8MPY1 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GABRP O00591 2/20 0.32
▸ GABRD O14764 2/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRB1 P18505 2/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA5 P31644 2/20 0.32
▸ GABRA3 P34903 2/20 0.32
▸ GABRA2 P47869 2/20 0.32
▸ GABRB2 P47870 2/20 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
SCHEMBL23494092 0.90 BLM (0.38) BLMGABRR1GABRR2GABRR3LMNA
SCHEMBL3626403 0.79 BLM (0.50) BLMGABRR1GABRR2GABRR3LMNA
SCHEMBL3626405 0.79 BLM (0.50) BLMGABRR1GABRR2GABRR3LMNA
SCHEMBL28883314 0.76 NFKB1 (0.47) PPARABLMLMNATSHRTDP1
SCHEMBL28912334 0.76 NFKB1 (0.47) PPARABLMLMNATSHRTDP1
SCHEMBL11765041 0.75 ALDH1A1 (0.44) LMNATDP1ALDH1A1
SCHEMBL11765044 0.75 ALDH1A1 (0.44) LMNATDP1ALDH1A1
Maleic Acid SCHEMBL17604468 0.75 TSHR (0.53) BLMGABRR1GABRR2GABRR3TSHR
SCHEMBL11757239 0.75 ALDH1A1 (0.36) BLMLMNATDP1ALDH1A1
SCHEMBL4202881 0.75 TSHR (0.39) BLMGABRR1GABRR2GABRR3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569273-B1 NOVEL ANTIMICROBIAL COMPOUNDS AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2018-04-04 — — EP disclosed
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