SCHEMBL8022294

SCHEMBL8022294

CC(CCC[C@H](O)CCO)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.55
GABRR1 P24046 2/20 0.46
CYP1A2 P05177 1/20 0.46
LTA4H P09960 1/20 0.46
ACE2 Q9BYF1 1/20 0.42
THRB P10828 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
FFAR1 O14842 1/20 0.38
FAAH O00519 1/20 0.38
TBXAS1 P24557 2/20 0.37
TP53 P04637 1/20 0.36
PTPN1 P18031 1/20 0.36
GPR84 Q9NQS5 2/20 0.35

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
SCHEMBL5472712 1.00 BLM (0.55) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL8023357 1.00 BLM (0.55) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL233225 0.83 BLM (0.73) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL17285499 0.83 BLM (0.73) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL22491795 0.83 ACE2 (0.57) BLMGABRR1CYP1A2ACE2FFAR4
SCHEMBL4268449 0.83 BLM (0.55) BLMGABRR1CYP1A2LTA4HACE2
SCHEMBL9580075 0.82 SLC1A3 (0.38) BLMGABRR1CYP1A2THRBFFAR4
SCHEMBL1859719 0.81
SCHEMBL156431 0.81
SCHEMBL847297 0.81

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-0835251-B1 PROCESS FOR THE PRODUCTION OF LIPOIC ACID ASTA MEDICA AG (DE) 2000-01-26 EP claimed