SCHEMBL30574953

SCHEMBL30574953

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ PPARD Q03181 3/20 0.38
▸ PPARG P37231 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ SLC2A1 P11166 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL25385144 1.00 SMN1; SMN2 (0.39) SMN1; SMN2NPC1POLBRAB9AHDAC8
SCHEMBL25384316 0.89 PPARG (0.40) SMN1; SMN2NPC1POLBRAB9AFFAR1
SCHEMBL30574845 0.89 PPARG (0.40) SMN1; SMN2NPC1POLBRAB9AFFAR1
SCHEMBL25385433 0.88 MAOB (0.37) SMN1; SMN2HDAC8PTPN1PPARDSLC2A1
SCHEMBL30574828 0.88 MAOB (0.37) SMN1; SMN2HDAC8PTPN1PPARDSLC2A1
SCHEMBL25385011 0.84 ALDH1A1 (0.40) SMN1; SMN2NPC1POLBRAB9AHDAC8
SCHEMBL30574764 0.84 ALDH1A1 (0.40) SMN1; SMN2NPC1POLBRAB9AHDAC8
SCHEMBL30574832 0.83 PTGS1 (0.48) SMN1; SMN2NPC1POLBRAB9AFFAR1
SCHEMBL25385232 0.83 PTGS1 (0.48) SMN1; SMN2NPC1POLBRAB9AFFAR1
SCHEMBL31056350 0.82 SMN1; SMN2 (0.55) SMN1; SMN2NPC1POLBRAB9ARXRA

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
Send feedback