SCHEMBL29128422

SCHEMBL29128422

O=c1[nH]cc(CSCC(F)COc2ccccc2)o1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
SCN4A P35499 2/20 0.31
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL29128392 0.89 DAO (0.31)
SCHEMBL29128491 0.85 ALDH1A1 (0.37) ALDH1A1LMNASCN4AKMT2AHSD17B10
SCHEMBL29128368 0.78 ALDH1A1 (0.49) ALDH1A1USP2POLBMAPTHPGD
SCHEMBL29128179 0.77 ALDH1A1 (0.42) ALDH1A1USP2POLBMAPTHPGD
SCHEMBL29128175 0.76 METAP2 (0.30)
SCHEMBL29128305 0.75
SCHEMBL29128334 0.75
SCHEMBL29128537 0.74 SOD1 (0.38) ALDH1A1L3MBTL1LMNAHSD17B10
SCHEMBL29128405 0.73 PPARG (0.38) ALDH1A1MAPTHPGDLMNAKMT2A
SCHEMBL29128481 0.72 DAO (0.45) ALDH1A1POLBMAPTTDP1L3MBTL1

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
CN-117263862-A Phenol-1, 3-oxazole/dihydroimidazole-2-ketone/thioketone compound and synthesis and application thereof 吉首大学 2023-12-22 CN disclosed