SCHEMBL31292276

SCHEMBL31292276

COC(=O)C(C)(C)c1ccc(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
ALDH1A1 P00352 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 4/20 0.39
KMT2A Q03164 2/20 0.39
NOTUM Q6P988 1/20 0.39
PLCG1 P19174 1/20 0.38
AAK1 Q2M2I8 2/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP30 Q70CQ3 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL3993190 1.00 DGAT1 (0.41) DGAT1ALDH1A1L3MBTL1PTGDR2SMN1; SMN2
SCHEMBL4504501 0.87 PTGDR2 (0.43) DGAT1ALDH1A1L3MBTL1PTGDR2SMN1; SMN2
SCHEMBL18512324 0.86 AAK1 (0.43) DGAT1ALDH1A1L3MBTL1PTGDR2SMN1; SMN2
SCHEMBL18340197 0.81 HPGD (0.41) ALDH1A1PTGDR2SMN1; SMN2LMNAKMT2A
SCHEMBL22918231 0.81 PTGDR2 (0.43) ALDH1A1L3MBTL1PTGDR2SMN1; SMN2LMNA
SCHEMBL29835966 0.81 PTGDR2 (0.43) ALDH1A1L3MBTL1PTGDR2SMN1; SMN2LMNA
SCHEMBL1627738 0.81 HDAC3 (0.46) ALDH1A1SMN1; SMN2LMNAKMT2APLCG1
SCHEMBL31251995 0.80 PTGDR2 (0.45) ALDH1A1L3MBTL1PTGDR2SMN1; SMN2LMNA
SCHEMBL2243013 0.79 ALDH1A1 (0.40) DGAT1ALDH1A1L3MBTL1PTGDR2SMN1; SMN2
SCHEMBL31292275 0.79 HTT (0.53) LMNAKMT2ANOTUMPLCG1RAB9A

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-2025024521-A1 SUBSTITUTED PIPERIDINEDIONES FOR TARGETED PROTEIN DEGRADATION MONTE ROSA THERAPEUTICS, INC. (US) 2025-01-30 WO disclosed