SCHEMBL28972402

SCHEMBL28972402

C=CC(C)(C)C(=O)CCCCC(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 4/20 0.52
RECQL P46063 1/20 0.42
EPHX2 P34913 1/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.36
POLA1 P09884 1/20 0.36
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL12972550 0.79 TSHR (0.61) LMNAALDH1A1TSHRRECQLEPHX2
SCHEMBL8076328 0.78 TSHR (0.82) LMNAALDH1A1TSHRRECQLEPHX2
SCHEMBL27953228 0.76 TSHR (0.88) LMNAALDH1A1TSHRRECQLEPHX2
SCHEMBL14975 0.76 TSHR (0.88) LMNAALDH1A1TSHRRECQLEPHX2
SCHEMBL8925728 0.75 TSHR (0.68) LMNAALDH1A1TSHRRECQLKMT2A
SCHEMBL30336224 0.75 FAAH (0.45) ALDH1A1RECQLKMT2APOLBMEN1
Ethylene SCHEMBL11226694 0.74 TSHR (0.74) LMNAALDH1A1TSHRRECQLEPHX2
Ethylene SCHEMBL11220450 0.74 TSHR (0.74) LMNAALDH1A1TSHRRECQLEPHX2
SCHEMBL27782105 0.74 FAAH (0.59) LMNAALDH1A1TSHRKMT2AMEN1
SCHEMBL5367622 0.74 ALDH1A1 (0.62) LMNAALDH1A1TSHRRECQLEPHX2

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-113024423-B Beta-fluoro, beta' -bissulfonylimide substituted ketone compound and preparation method and application thereof 山东领海生物科技有限公司 2023-03-21 CN disclosed