SCHEMBL28840432

SCHEMBL28840432

C[C@@H](COc1cc(C(=O)NC2CC2)c(Cl)cc1F)N([SH](=O)=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 2/20 0.39
MCHR1 Q99705 1/20 0.38
CRHR1 P34998 13/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
CRHR2 Q13324 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
SCHEMBL28840449 0.84 NPC1 (0.37) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL28840456 0.84 NPC1 (0.37) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL28840399 0.84 MRGPRX4 (0.34) HPGDSMN1; SMN2
SCHEMBL28840450 0.81 LRRK2 (0.38)
SCHEMBL28840433 0.79 HPGD (0.50) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL28840502 0.79 HPGD (0.50) HPGDNPC1RAB9ASMN1; SMN2GAA
SCHEMBL28840441 0.77
SCHEMBL28840434 0.68 PDK2 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL28840413 0.67 NPC1 (0.35) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23706707 0.66 NPC1 (0.40) HPGDNPC1RAB9ASMN1; SMN2GAA

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