SCHEMBL29199672

SCHEMBL29199672

CC1OB(c2cccnc2OCc2ccccc2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.39
CNR1 P21554 2/20 0.39
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
DGAT1 O75907 1/20 0.35
LTA4H P09960 1/20 0.35
MAPK14 Q16539 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL24818111 0.84 L3MBTL1 (0.36) DGAT1L3MBTL1ALDH1A1LMNAHPGD
SCHEMBL1360465 0.82 DGAT1 (0.47) CNR2CNR1MEN1NPC1RAB9A
SCHEMBL19830893 0.79 DGAT1 (0.40) MEN1KMT2ADGAT1L3MBTL1ALDH1A1
SCHEMBL22570988 0.74 NOS3 (0.36)
SCHEMBL14468905 0.74
SCHEMBL12330501 0.72 TSHR (0.42) DGAT1ALDH1A1LMNATSHR
SCHEMBL13111398 0.68 MAOB (0.41) MEN1NPC1RAB9AKMT2AMAOA
SCHEMBL12365633 0.67 LPL (0.43)
Ethane SCHEMBL5461587 0.67
SCHEMBL21202726 0.66

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-117916231-A Compounds for inhibiting or degrading target proteins, compositions comprising the same, methods of making and methods of using the same 纽力克斯治疗公司 2024-04-19 CN disclosed
CN-117813307-A Difunctional degradants of interleukin-1 receptor related kinase and therapeutic uses thereof 新锐思生物制药股份有限公司 2024-04-02 CN disclosed