SCHEMBL28536934

SCHEMBL28536934

CC(CCCCC(=O)O)N1C(=O)C=CC1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.50
PTGS2 P35354 4/20 0.50
GSTK1 Q9Y2Q3 2/20 0.42
ENPEP Q07075 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.38
LMNA P02545 2/20 0.38
F13A1 P00488 3/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL326701 0.95 PTGS1 (0.47) PTGS1PTGS2GSTK1ENPEPALDH1A1
SCHEMBL28409525 0.84 PTGS1 (0.39) PTGS1PTGS2GSTK1ENPEPALDH1A1
SCHEMBL1535510 0.80 LMNA (0.33) ALDH1A1LMNAPMP22
SCHEMBL5873778 0.80 PTGS1 (0.47) PTGS1PTGS2GSTK1ENPEPFFAR4
SCHEMBL28539909 0.79 PTGS1 (0.50) PTGS1PTGS2GSTK1ENPEPFFAR4
SCHEMBL7053269 0.79 FFAR4 (0.47) PTGS1PTGS2FFAR4FFAR1ALDH1A1
SCHEMBL28406949 0.79 PTGS1 (0.50) PTGS1PTGS2GSTK1FFAR4FFAR1
SCHEMBL3962791 0.79 FFAR4 (0.51) PTGS1PTGS2FFAR4FFAR1ALDH1A1
SCHEMBL3482787 0.78 MGLL (0.47) PTGS1PTGS2ALDH1A1LMNAPMP22
SCHEMBL12418610 0.78 MGLL (0.32) PTGS1PTGS2ALDH1A1LMNAPMP22

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-107163134-B Thymalfasin polyethylene glycol polymer, pharmaceutical composition containing same and application 广州维奥康药业科技有限公司 2021-03-23 CN disclosed