SCHEMBL26820652

SCHEMBL26820652

O=C(C[C@@H](O)c1cccs1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.54
GAA P10253 2/20 0.54
SI P14410 2/20 0.54
MGAM2 Q2M2H8 2/20 0.54
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
TSHR P16473 2/20 0.49
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.45
CES1 P23141 2/20 0.44
CES2 O00748 1/20 0.44
KEAP1 Q14145 1/20 0.44
HPGDS O60760 1/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL26820640 1.00 MGAM (0.54) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28316937 0.82 CES2 (0.49) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4446826 0.82 CES2 (0.49) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3962690 0.82 CES2 (0.49) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27624468 0.82 POLB (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3070427 0.81 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1TSHRRAB9A
SCHEMBL29110154 0.81 MGAM (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL31331749 0.80 MGAM (0.51) MGAMGAASIMGAM2ALDH1A1
Ethane SCHEMBL4831611 0.79 CES2 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13988109 0.77 CES2 (0.47) ALDH1A1KMT2AMEN1TSHRRAB9A

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-2023206835-A1 CROSS-LINKED NORBORNENE COPOLYMER/CARBON BLACK THREE-DIMENSIONAL NETWORK IMMOBILIZED BIMETALLIC COPPER/GOLD NANO-CATALYST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 湖北工程学院 2023-11-02 WO disclosed