SCHEMBL28574666

SCHEMBL28574666

O=C(O)CCCCCCCCCCCCCCC(O)Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
TSHR P16473 2/20 0.57
NFKB1 P19838 1/20 0.57
PMP22 Q01453 1/20 0.57
FFAR4 Q5NUL3 2/20 0.55
FFAR1 O14842 2/20 0.55
GSTK1 Q9Y2Q3 2/20 0.52
ALDH1A1 P00352 2/20 0.48
GPR84 Q9NQS5 3/20 0.48
ENPEP Q07075 1/20 0.47
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
TLR2 O60603 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL8894698 1.00 LMNA (0.57) LMNATSHRNFKB1PMP22FFAR4
SCHEMBL28783402 0.98 LMNA (0.55) LMNATSHRNFKB1PMP22FFAR4
SCHEMBL27768874 0.98 LMNA (0.55) LMNATSHRNFKB1PMP22FFAR4
SCHEMBL27907123 0.98 LMNA (0.55) LMNATSHRNFKB1PMP22FFAR4
SCHEMBL10354453 0.90
Adipic Acid SCHEMBL1147325 0.84 LMNA (0.50) LMNATSHRNFKB1PMP22FFAR4
SCHEMBL7928649 0.83 TSHR (0.60) LMNATSHRNFKB1PMP22FFAR4
SCHEMBL7408621 0.83 TSHR (0.60) LMNATSHRNFKB1PMP22FFAR4
Chloroform SCHEMBL29271539 0.82 TSHR (0.75) LMNATSHRNFKB1PMP22FFAR4
Chloroform SCHEMBL28633847 0.82 TSHR (0.75) LMNATSHRNFKB1PMP22FFAR4

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
CN-112939771-A Preparation method of long-chain alkyl diacid mono-tert-butyl ester 宁夏蓝博思化学技术有限公司 2021-06-11 CN disclosed