SCHEMBL31158818

SCHEMBL31158818

CC(C)(C)OC(=O)N1CC2(C=C(c3ccc(C(F)(F)F)cc3)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.47
▸ GPR119 Q8TDV5 2/20 0.43
▸ RORC P51449 12/20 0.41
▸ P2RY14 Q15391 2/20 0.40
▸ MMP13 P45452 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ TACR1 P25103 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39

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
SCHEMBL31159014 0.86 GPR119 (0.45) GPR119RORCMMP13
SCHEMBL30726307 0.85 RORC (0.48) RORC
SCHEMBL31159120 0.84 MAPT (0.47) MAPTGPR119MMP13
SCHEMBL31158870 0.82 KIF11 (0.41) GPR119RORCHDAC4
SCHEMBL31158858 0.82 APP (0.42) MAPTGPR119RORCTACR1
SCHEMBL31159047 0.81 MMP13 (0.40) GPR119RORCMMP13
SCHEMBL31158840 0.81 GPR119 (0.49) GPR119
SCHEMBL17729554 0.79 MAPT (0.51) MAPTGPR119RORCTACR1
SCHEMBL30836061 0.79 MAPT (0.44) MAPTGPR119RORCP2RY14MMP13
SCHEMBL31159143 0.78 HDAC2 (0.51) RORCMMP13

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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