SCHEMBL31662691

SCHEMBL31662691

COC(=O)c1ccc(I)c(OCCCCCO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.43
MGLL Q99685 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
SMPD1 P17405 5/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL2804514 0.82 NOTUM (0.41) TTRHDAC6SMPD1MAPTKDM4E
SCHEMBL15956123 0.81 MGLL (0.57) TTRMGLLSMPD1THRATHRB
SCHEMBL13125216 0.80 MAPT (0.44) MAPTKDM4ETHRATHRB
SCHEMBL18054821 0.80 CA12 (0.47) TTRHDAC6SMPD1MAPTKDM4E
SCHEMBL3081455 0.79 TSHR (0.40) TTRMAPTKDM4E
SCHEMBL26814603 0.79 CYP1A2 (0.44) TTRMAPTKDM4ETDP1L3MBTL1
SCHEMBL21383066 0.79 MAPT (0.45) TTRMGLLMAPTKDM4ETDP1
SCHEMBL68346 0.79 MGLL (0.53) TTRMGLLSMPD1MAPTKDM4E
SCHEMBL4213761 0.78 MGLL (0.49) TTRMGLLSMPD1MAPTKDM4E
SCHEMBL21378628 0.77 TTR (0.44) TTRMGLLHDAC6SMPD1MAPT

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-2025151449-A1 BIFUNCTIONAL P53-BINDING COMPOUNDS AND USES THEREOF PHOTYS THERAPEUTICS, INC. (US) 2025-07-17 WO disclosed