SCHEMBL31056151

SCHEMBL31056151

O=C(O)c1cc(C2OCCO2)c(OCc2ccccc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.48
TRPC6 Q9Y210 1/20 0.43
MAP4K4 O95819 1/20 0.40
PTGER1 P34995 7/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
FOLH1 Q04609 1/20 0.40
MCL1 Q07820 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ASPH Q12797 1/20 0.39
RIOX2 Q8IUF8 1/20 0.39
KDM8 Q8N371 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2527963 0.81 P4HTM (0.60) P4HTMTRPC6MAP4K4PTGER1FOLH1
Hydrochloric Acid SCHEMBL10666309 0.80 P4HTM (0.59) P4HTMMAP4K4PTGER1FOLH1MCL1
SCHEMBL31056250 0.80 PTGER1 (0.48) PTGER1NPC1RAB9AMEN1KMT2A
SCHEMBL31056217 0.78 FOLH1 (0.48) PTGER1PKMFOLH1MCL1KDM4E
SCHEMBL31056459 0.78 FOLH1 (0.45) PTGER1NPC1FOLH1MCL1KDM4E
SCHEMBL31056825 0.78 MCL1 (0.47) PTGER1FOLH1MCL1KDM4E
SCHEMBL31056045 0.78 PTGER1 (0.50) PTGER1NPC1RAB9AFOLH1MCL1
SCHEMBL21045862 0.77 TRPC6 (0.55) P4HTMTRPC6NPC1PKMRAB9A
SCHEMBL31055879 0.77 P4HTM (0.46) P4HTMPTGER1FOLH1MCL1
SCHEMBL31056247 0.75 FOLH1 (0.43) PTGER1FOLH1MCL1KDM4EMEN1

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