SCHEMBL30574828

SCHEMBL30574828

CCOC(=O)C(F)(F)c1ccc(C2OCCO2)c(OCc2ccc(OC)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PTPN1 P18031 1/20 0.35

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
SCHEMBL25385433 1.00 MAOB (0.37) MAOBALDH1A1SMN1; SMN2HDAC8SLC2A1
SCHEMBL30574953 0.88 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2HDAC8SLC2A1HPGD
SCHEMBL25385144 0.88 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2HDAC8SLC2A1HPGD
SCHEMBL30574764 0.82 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HDAC8HPGDPPARD
SCHEMBL25385011 0.82 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HDAC8HPGDPPARD
SCHEMBL31562487 0.82 MEN1 (0.43) MAOBALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL25384316 0.81 PPARG (0.40) ALDH1A1SMN1; SMN2HPGDPPARDLMNA
SCHEMBL30574845 0.81 PPARG (0.40) ALDH1A1SMN1; SMN2HPGDPPARDLMNA
SCHEMBL30313200 0.81 ALDH1A1 (0.44) MAOBALDH1A1HDAC8PPARDLMNA
SCHEMBL25385151 0.80 FFAR1 (0.41) MAOBSMN1; SMN2HPGDMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4486390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF Terremoto Biosciences, Inc (US) 2025-01-08 — — EP disclosed
WO-2023168291-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-09-07 — — WO disclosed
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