SCHEMBL30574845

SCHEMBL30574845

COc1ccc(COc2cc(C(C)(C)C(=O)O)ccc2C2OCCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.40
▸ PPARD Q03181 2/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ LTB4R Q15722 2/20 0.40
▸ LTB4R2 Q9NPC1 2/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NR4A2 P43354 2/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL25384316 1.00 PPARG (0.40) PPARGPPARDPPARASMN1; SMN2RAB9A
SCHEMBL25385011 0.91 ALDH1A1 (0.40) PPARGPPARDPPARASMN1; SMN2RAB9A
SCHEMBL30574764 0.91 ALDH1A1 (0.40) PPARGPPARDPPARASMN1; SMN2RAB9A
SCHEMBL25385144 0.89 SMN1; SMN2 (0.39) PPARGPPARDPPARASMN1; SMN2RAB9A
SCHEMBL30574953 0.89 SMN1; SMN2 (0.39) PPARGPPARDPPARASMN1; SMN2RAB9A
SCHEMBL25385232 0.84 PTGS1 (0.48) SMN1; SMN2RAB9ANPC1POLBFFAR1
SCHEMBL30574832 0.84 PTGS1 (0.48) SMN1; SMN2RAB9ANPC1POLBFFAR1
SCHEMBL31056350 0.83 SMN1; SMN2 (0.55) PPARASMN1; SMN2RAB9ANPC1POLB
SCHEMBL25385067 0.82 FFAR1 (0.58) FFAR1RXRARXRB
SCHEMBL25385433 0.81 MAOB (0.37) PPARDSMN1; SMN2HPGDLMNAALDH1A1

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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