SCHEMBL24849367

SCHEMBL24849367

Cc1cc(C)c(OC(=O)CBr)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TRPA1 O75762 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
NLRP3 Q96P20 1/20 0.37
GSK3B P49841 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL24849557 0.85 ALDH1A1 (0.38) MIFALDH1A1L3MBTL1TRPA1SMN1; SMN2
SCHEMBL15131812 0.83 MIF (0.43) MIFALDH1A1L3MBTL1SMN1; SMN2ATM
SCHEMBL8396488 0.82 ACHE (0.45) MIFALDH1A1L3MBTL1SMN1; SMN2ATM
SCHEMBL10814385 0.80 MIF (0.41) MIFALDH1A1L3MBTL1SMN1; SMN2ATM
SCHEMBL28077941 0.80 LMNA (0.46) MIFALDH1A1L3MBTL1SMN1; SMN2ATM
SCHEMBL5834129 0.80 SMN1; SMN2 (0.61) ALDH1A1L3MBTL1TRPA1SMN1; SMN2ATM
SCHEMBL7394143 0.78 ALDH1A1 (0.43) MIFALDH1A1L3MBTL1SMN1; SMN2ATM
Hydrochloric Acid SCHEMBL7313530 0.78 LMNA (0.49) MIFALDH1A1L3MBTL1SMN1; SMN2ATM
SCHEMBL16837505 0.78 MIF (0.40) MIFALDH1A1L3MBTL1SMN1; SMN2ATM
SCHEMBL16837504 0.77 L3MBTL1 (0.44) MIFALDH1A1L3MBTL1SMN1; SMN2ATM

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-2023274258-A1 HETEROATOM-SUBSTITUTED AROMATIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川大学华西医院 2023-01-05 WO disclosed