SCHEMBL31056326

SCHEMBL31056326

COC(=O)c1cc(C2OCCO2)c(OCc2ccccc2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 2/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43
SMPD1 P17405 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
BRD4 O60885 1/20 0.40
MCL1 Q07820 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 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
SCHEMBL31056825 0.90 MCL1 (0.47) MAPTL3MBTL1RXRARXRBRXRG
SCHEMBL31056342 0.88 ALDH1A1 (0.47) RAB9ALMNAMAPTHPGDNPC1
SCHEMBL31056402 0.88 LMNA (0.43) RAB9ALMNAMAPTL3MBTL1HPGD
Lithium Ion SCHEMBL31056412 0.87 RXRA (0.42) RAB9AMAPTL3MBTL1NPC1PKM
SCHEMBL31056108 0.85 HPGD (0.50) RAB9ALMNAMAPTL3MBTL1HPGD
Oxirane SCHEMBL28365547 0.84 SMPD1 (0.49) RAB9ALMNAMAPTL3MBTL1HPGD
SCHEMBL31056125 0.81 CYP2C9 (0.40) RAB9ALMNAHPGDNPC1PKM
SCHEMBL24817920 0.81 NPC1 (0.50) RAB9ALMNAMAPTL3MBTL1HPGD
SCHEMBL8409709 0.79 HSD17B10 (0.47) RAB9AMAPTHPGDNPC1SMN1; SMN2
SCHEMBL12659540 0.78 MAPT (0.53) RAB9ALMNAMAPTL3MBTL1HPGD

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
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed