SCHEMBL12798142

SCHEMBL12798142

CSSC(C)CCCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.44
FFAR1 O14842 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.43
GSTK1 Q9Y2Q3 2/20 0.42
TSHR P16473 5/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 1/20 0.42
AKR1B1 P15121 1/20 0.41
ENPEP Q07075 1/20 0.41
PPARG P37231 4/20 0.40
PPARD Q03181 4/20 0.40
PPARA Q07869 4/20 0.40
GPR84 Q9NQS5 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
TLR2 O60603 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL17188854 0.94 TSHR (0.42) FFAR4FFAR1LMNAALDH1A1GSTK1
SCHEMBL1752252 0.85 GABRP (0.48) LMNATSHRENPEP
SCHEMBL1751466 0.85 GABRP (0.48) LMNATSHRENPEP
SCHEMBL1752703 0.85 GABRP (0.48) LMNATSHRENPEP
SCHEMBL11559068 0.83 TSHR (0.46) LMNAALDH1A1GSTK1TSHRNFKB1
SCHEMBL12743238 0.81 TSHR (0.47) FFAR4FFAR1ALDH1A1TSHRAKR1B1
SCHEMBL2725090 0.76 BLM (0.52)
SCHEMBL25639990 0.76 ALDH1A1 (0.51) FFAR4FFAR1ALDH1A1GSTK1TSHR
SCHEMBL9405817 0.73 LMNA (0.58) FFAR4FFAR1LMNAALDH1A1GSTK1
SCHEMBL245252 0.73 KDM4C (0.60) FFAR4FFAR1LMNAALDH1A1GSTK1

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
WO-2011044138-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-04-14 WO disclosed