SCHEMBL23925228

SCHEMBL23925228

CCC(C)(O)COc1ccc(Br)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GLA P06280 1/20 0.41
KDM4E B2RXH2 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.37
AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL1144143 0.86 MCHR1 (0.44) TSHRSMN1; SMN2GLAKDM4EPTGDR2
SCHEMBL6357684 0.79 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ETDP1LMNAL3MBTL1
SCHEMBL4816613 0.77 SMN1; SMN2 (0.42) TSHRSMN1; SMN2GLAKDM4EPTGDR2
SCHEMBL23925230 0.77 FDPS (0.41) SMN1; SMN2KDM4EPTGDR2TDP1MAPT
SCHEMBL4572874 0.77 KDM4E (0.59) TSHRSMN1; SMN2GLAKDM4ETDP1
SCHEMBL16637913 0.74 ALDH1A1 (0.45) KDM4ETDP1MAPTMAPK1
SCHEMBL13010769 0.74 HPGD (0.55) TSHRSMN1; SMN2GLAKDM4ETDP1
SCHEMBL3119610 0.72 MAPT (0.50) SMN1; SMN2KDM4ETDP1GAAMAPT
SCHEMBL12264984 0.72 SMN1; SMN2 (0.49) SMN1; SMN2TDP1MAPTLMNAL3MBTL1
Methyl Alcohol SCHEMBL28799088 0.72 CA2 (0.52) TSHRSMN1; SMN2KDM4ETDP1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4136084-A1 BCL-2 INHIBITOR BeiGene, Ltd. (KY) 2023-02-22 EP disclosed
WO-2021208963-A1 BCL-2 INHIBITOR BEIGENE, LTD. (KY) 2021-10-21 WO disclosed