SCHEMBL31158852

SCHEMBL31158852

CC(C)(C)OC(=O)N1CC2(C=C(c3ccc(F)cc3F)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ GPR119 Q8TDV5 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ RORC P51449 5/20 0.38
▸ PDK2 Q15119 1/20 0.37
▸ BUB1 O43683 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ GRM1 Q13255 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
SCHEMBL31158858 0.87 APP (0.42) ALOX5APFEN1GPR119RORCPDK2
SCHEMBL31159140 0.85 PDK2 (0.40) ALOX5APFEN1GPR119RORCPDK2
SCHEMBL31029069 0.85 ALDH1A1 (0.47) SMN1; SMN2ALOX5APFEN1GPR119RORC
SCHEMBL31159047 0.80 MMP13 (0.40) ALOX5APFEN1HDAC2GPR119HDAC1
SCHEMBL31159143 0.76 HDAC2 (0.51) HDAC2HDAC1RORCGRM5GRM1
SCHEMBL13993111 0.76 GRM1 (0.57) GRM5GRM1
SCHEMBL31158870 0.76 KIF11 (0.41) ALOX5APFEN1HDAC2GPR119HDAC1
SCHEMBL25603154 0.76 NR1H2 (0.39) ALOX5APFEN1HDAC2GPR119HDAC1
SCHEMBL31158783 0.75 USP30 (0.47) MKNK1HDAC2GPR119HDAC1RORC
SCHEMBL31159014 0.74 GPR119 (0.45) SMN1; SMN2GPR119RORCGRM5GRM1

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-2024201248-A1 COMPOUNDS AND METHODS FOR DEGRADING GSPT1 PIN THERAPEUTICS, INC. (KR) 2024-10-03 — — WO disclosed
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