SCHEMBL28840396

SCHEMBL28840396

Cc1cc(OC[C@H](C)N([SH](=O)=O)C(F)(F)F)cc(C(=O)O)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
OGG1 O15527 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 2/20 0.34
BCL2L1 Q07817 2/20 0.33
BAK1 Q16611 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL28840434 0.81 PDK2 (0.36) ALDH1A1MEN1KMT2ATSHR
SCHEMBL28840399 0.75 MRGPRX4 (0.34) MRGPRX4HPGD
SCHEMBL28840397 0.74 KDM4E (0.40) MCL1L3MBTL1KDM4EALDH1A1POLB
SCHEMBL28840431 0.74 KDM4E (0.40) MCL1L3MBTL1KDM4EALDH1A1POLB
SCHEMBL28840894 0.70 L3MBTL1 (0.43) MCL1L3MBTL1KDM4EALDH1A1POLB
SCHEMBL28840896 0.70 L3MBTL1 (0.43) MCL1L3MBTL1KDM4EALDH1A1POLB
SCHEMBL27974265 0.67 SMN1; SMN2 (0.45) MCL1L3MBTL1KDM4EALDH1A1POLB
SCHEMBL30102993 0.65 L3MBTL1 (0.39) MCL1L3MBTL1KDM4EALDH1A1POLB
SCHEMBL27887866 0.64 RXRA (0.53) KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL31135603 0.64 L3MBTL1 (0.46) MCL1L3MBTL1KDM4EALDH1A1POLB

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-115052856-A 3-alkoxybenzamide derivative and pest control agent 组合化学工业株式会社 2022-09-13 CN disclosed