SCHEMBL30574783

SCHEMBL30574783

COC(=O)Cc1ccc(C2OCCO2)c(OCc2ccc(OC)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ HTT P42858 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ VDR P11473 1/20 0.40

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
SCHEMBL25385517 1.00 SMPD1 (0.42) SMPD1HDAC8ALDH1A1MAPTGAA
SCHEMBL31562487 0.90 MEN1 (0.43) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL30574832 0.90 PTGS1 (0.48) ALDH1A1GAAHTTLMNANPC1
SCHEMBL25385232 0.90 PTGS1 (0.48) ALDH1A1GAAHTTLMNANPC1
SCHEMBL31562191 0.84 FFAR1 (0.45) HDAC8ALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL31562376 0.84 PTGS1 (0.47) ALDH1A1GAAMTNR1AMTNR1BHTT
SCHEMBL25387769 0.84 PTGS1 (0.47) ALDH1A1GAAMTNR1AMTNR1BHTT
SCHEMBL31056350 0.84 SMN1; SMN2 (0.55) NPC1SMN1; SMN2HPGDRAB9APOLB
SCHEMBL25385067 0.83 FFAR1 (0.58) RXRA
SCHEMBL25385838 0.82 NPC1 (0.45) HDAC8NPC1SMN1; SMN2HPGDRAB9A

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 3 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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 — — WO disclosed
WO-2023168291-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-09-07 — — WO disclosed
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