SCHEMBL31544598

SCHEMBL31544598

CC(C)(C)OC(=O)N1CCN(c2ccc(CC(=O)O)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ HTT P42858 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ GPR119 Q8TDV5 9/20 0.55
▸ DDB1 Q16531 1/20 0.54
▸ CRBN Q96SW2 1/20 0.54
▸ NAMPT P43490 1/20 0.53
▸ ITGB3 P05106 1/20 0.52
▸ ITGA2B P08514 1/20 0.52
▸ ESRRB O95718 1/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ ESRRA P11474 1/20 0.50
▸ ESRRG P62508 1/20 0.50
▸ TSHR P16473 1/20 0.50

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
SCHEMBL3486912 0.89 GPR119 (0.73) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL8352146 0.88 GPR119 (0.56) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL5573222 0.87 MAPT (0.76) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL6978816 0.87 SMN1; SMN2 (0.61) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL3807661 0.86 MAPT (0.64) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL1136833 0.86 MAPT (0.64) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL5233185 0.86 MAPT (0.57) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL2881674 0.85 GPR119 (0.61) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL20306312 0.85 MAPT (0.62) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL1019005 0.85 MAPT (0.62) MAPTLMNAALDH1A1SMN1; SMN2MEN1

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-120004862-A Compound, pharmaceutical composition and application thereof 山东大学 2025-05-16 — — CN disclosed
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