SCHEMBL25976165

SCHEMBL25976165

C=CC(=O)NCc1cc(C)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.44
TP53 P04637 3/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
SLC13A5 Q86YT5 1/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL30172147 0.83 ALDH1A1 (0.48) HPGDTSHRTDP1POLBALDH1A1
SCHEMBL945226 0.83 ALDH1A1 (0.48) HPGDTSHRTDP1POLBALDH1A1
SCHEMBL27978123 0.83 PSMB11 (0.46) HPGDTSHRMAPK1TDP1POLB
SCHEMBL9318651 0.81 KDM4E (0.54) PPARGPPARDPPARAHPGDMAPT
SCHEMBL25794495 0.81 BRD4 (0.40)
SCHEMBL8765637 0.81 HPGD (0.61) HPGDGAAMAPTTSHRNPC1
SCHEMBL18636751 0.81 TGM2 (0.44) LMNAHPGDGAAMAPTMAPK1
SCHEMBL25781046 0.80 EPHX2 (0.45) LMNAHPGDNPC1POLBALDH1A1
SCHEMBL9318911 0.79 HPGD (0.51) PPARGPPARDPPARAHPGDGAA
SCHEMBL5082960 0.79 NPC1 (0.55) LMNAHPGDGAAL3MBTL1NPC1

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-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed