SCHEMBL29032452

SCHEMBL29032452

COC(=O)c1ccc(OCCO[Si](C)(C)C(C)(C)C)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
TP53 P04637 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 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
SCHEMBL30342993 0.89 ALDH1A1 (0.43) MAPTTHRATHRBTDP1NPC1
SCHEMBL27170273 0.88 THRA (0.41) MAPTKMT2AMEN1THRATHRB
SCHEMBL12467087 0.88 PARP15 (0.51) MAPTTHRATHRBNPC1RAB9A
SCHEMBL5467355 0.85 MAPT (0.41) MAPTTHRATHRBMAOBMAOA
SCHEMBL5234224 0.82 MAPT (0.50) MAPTKMT2AMEN1THRATHRB
SCHEMBL19717306 0.79 MAPT (0.69) MAPTKMT2AMEN1TDP1NPC1
SCHEMBL7517952 0.79 ADRB2 (0.41) MAPTKMT2AMEN1TDP1NPC1
SCHEMBL8902098 0.79 THRA (0.53) MAPTKMT2AMEN1THRATHRB
SCHEMBL862088 0.79 PPARG (0.48) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL16568445 0.79 PTPN2 (0.39) MAPTNPC1RAB9AHSP90AA1HTT

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
CN-116438174-A Compounds and their use as MIF inhibitors 南京艾美斐生物医药科技有限公司 2023-07-14 CN disclosed
EP-4168399-A1 COMPOUNDS AND THEIR USES AS MIF INHIBITORS Nanjing Immunophage Biotech Co., Ltd. (CN) 2023-04-26 EP disclosed