SCHEMBL30998128

SCHEMBL30998128

CCCCCCCCOc1cccc2c(=O)c3ccccc3sc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
HCRTR1 O43613 1/20 0.40

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
SCHEMBL30998130 1.00 MAPT (0.44) MAPTLMNAMEN1NR1I2CHRM2
SCHEMBL30998122 1.00 MAPT (0.44) MAPTLMNAMEN1NR1I2CHRM2
SCHEMBL30998131 1.00 MAPT (0.44) MAPTLMNAMEN1NR1I2CHRM2
SCHEMBL8857489 0.91 MAPT (0.43) MAPTLMNAMEN1CYP3A4KMT2A
SCHEMBL30998121 0.91 MAPT (0.43) MAPTLMNAMEN1CYP3A4KMT2A
SCHEMBL27862393 0.89 MEN1 (0.44) MAPTLMNAMEN1NR1I2CHRM2
SCHEMBL27951931 0.87 CYSLTR2 (0.42) MAPTLMNAMEN1NR1I2CHRM2
SCHEMBL21206920 0.85 MAPT (0.44) MAPTLMNAMEN1CHRM2CYP3A4
Hydrochloric Acid SCHEMBL4208971 0.84 SLC6A4 (0.54) MAPTLMNACYP3A4CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL4210815 0.82 HRH1 (0.53) MAPTLMNACYP3A4CYP2C9ALDH1A1

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-2024153871-A1 ADDITIVE MANUFACTURING METHOD FOR PRODUCING A SILICONE ELASTOMER ARTICLE ELKEM SILICONES FRANCE SAS (FR) 2024-07-25 WO disclosed