SCHEMBL31473198

SCHEMBL31473198

CC(=O)OC(C)c1cc(F)ccc1I

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.34
▸ CES1 P23141 3/20 0.34
▸ PSEN1 P49768 2/20 0.33
▸ PSEN2 P49810 2/20 0.33
▸ APH1B Q8WW43 2/20 0.33
▸ NCSTN Q92542 2/20 0.33
▸ APH1A Q96BI3 2/20 0.33
▸ PSENEN Q9NZ42 2/20 0.33
▸ TSHR P16473 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CETP P11597 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL26816161 0.85 CES2 (0.31) CES2CES1PSEN1PSEN2APH1B
SCHEMBL17380950 0.83 CES2 (0.46) CES2CES1PSEN1PSEN2APH1B
SCHEMBL22241276 0.83 CES2 (0.46) CES2CES1PSEN1PSEN2APH1B
SCHEMBL24006840 0.81 TSHR (0.41) TSHRALDH1A1LMNAMEN1MAPT
SCHEMBL30242784 0.81 TSHR (0.41) TSHRALDH1A1LMNAMEN1MAPT
SCHEMBL28982096 0.81 TSHR (0.41) TSHRALDH1A1LMNAMEN1MAPT
SCHEMBL5579233 0.76 ALDH1A1 (0.39) TSHRPOLBALDH1A1LMNAMEN1
SCHEMBL4090157 0.75 ALDH1A1 (0.35) TSHRPOLBALDH1A1RECQLLMNA
SCHEMBL15273683 0.74 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15261233 0.74 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A

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-119391687-A Immobilized enzyme catalyst for preparing chiral alcohol and chiral ester, and preparation method and application thereof 河南大学 2025-02-07 — — CN disclosed
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