SCHEMBL28840434

SCHEMBL28840434

C[C@@H](COc1ccc(C(=O)O)c(Cl)c1)N([SH](=O)=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLA2G4A P47712 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MYC P01106 1/20 0.36
NR4A1 P22736 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL28840399 0.81 MRGPRX4 (0.34) SMN1; SMN2
SCHEMBL28840396 0.81 MCL1 (0.39) TSHRALDH1A1MEN1KMT2A
SCHEMBL9197144 0.78 TSHR (0.47) TSHRCASP1SMN1; SMN2PLA2G4AALDH1A1
SCHEMBL2713590 0.76 SMN1; SMN2 (0.47) TSHRCASP1SMN1; SMN2PLA2G4AALDH1A1
SCHEMBL28840435 0.74 ALDH1A1 (0.38) TSHRCASP1SMN1; SMN2PLA2G4AALDH1A1
SCHEMBL2716480 0.73 KDM4E (0.50) TSHRCASP1SMN1; SMN2ALDH1A1MEN1
SCHEMBL5032922 0.71 KDM4E (0.53) TSHRCASP1SMN1; SMN2ALDH1A1THRA
SCHEMBL3418753 0.69 ALDH1A1 (0.71) TSHRCASP1SMN1; SMN2ALDH1A1MYC
SCHEMBL28840449 0.69 NPC1 (0.37) SMN1; SMN2ALDH1A1
SCHEMBL28840456 0.69 NPC1 (0.37) SMN1; SMN2ALDH1A1

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