SCHEMBL29135489

SCHEMBL29135489

CCCCc1cc(-c2cccc3[nH]nnc23)c(O)c(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HSPA5 P11021 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
XBP1 P17861 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
SCN2A Q99250 1/20 0.31

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
SCHEMBL28973495 0.86 ELANE (0.34) KDM4EALDH1A1NPSR1NPC1HPGD
SCHEMBL6278572 0.84 ALDH1A1 (0.38) GAAKMT2AMEN1KDM4EALDH1A1
SCHEMBL10385181 0.83 TLR8 (0.31) NPSR1NPC1HPGDMAPK1HTT
SCHEMBL28450073 0.83 LPL (0.36)
SCHEMBL1870423 0.82 GAA (0.42) GAAKMT2AMEN1KDM4EALDH1A1
SCHEMBL28309366 0.81 CNR1 (0.47) GAANPSR1NPC1HPGDMAPK1
SCHEMBL8446117 0.81 LPL (0.36) KDM4EALDH1A1HPGD
SCHEMBL28941637 0.81 NR5A1 (0.35)
SCHEMBL4887850 0.81 CYP3A4 (0.39) GAAKMT2AMEN1ALDH1A1NPSR1
SCHEMBL28557327 0.80 NPC1 (0.41) GAANPSR1NPC1HPGDMAPK1

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-117355567-A Use of at least one sulfur-containing amino acid for stabilizing thermoplastic recycling material, stabilized thermoplastic recycling material, stabilizer composition, masterbatch and molding compound or molded part 弗劳恩霍夫应用研究促进协会 2024-01-05 CN disclosed