SCHEMBL29679554

SCHEMBL29679554

CCS(=O)(=O)c1cc(C(F)(F)F)cnc1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
CFTR P13569 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.41
DDR1 Q08345 4/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
LMNA P02545 1/20 0.40
AGBL2 Q5U5Z8 1/20 0.40
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MDM2 Q00987 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL17941430 1.00 NOTUM (0.43) NOTUMCFTRALDH1A1MAPK1DDR1
SCHEMBL18670295 0.88 POLB (0.45) CFTRALDH1A1MAPK1NPSR1L3MBTL1
SCHEMBL16346188 0.85 CFTR (0.42) CFTRALDH1A1DDR1NPSR1L3MBTL1
SCHEMBL16346453 0.85 AGBL2 (0.46) CFTRALDH1A1DDR1NPSR1PTGS2
SCHEMBL28230371 0.84 PKM (0.46) CFTRDDR1NPSR1AGBL2KMT2A
SCHEMBL18670113 0.84 CFTR (0.48) CFTRALDH1A1DDR1NPSR1AGBL2
SCHEMBL16834062 0.83 NPSR1 (0.42) CFTRALDH1A1DDR1NPSR1L3MBTL1
SCHEMBL16991819 0.83 DDR1 (0.42) CFTRALDH1A1DDR1NPSR1L3MBTL1
SCHEMBL30490809 0.83 RORC (0.41) ALDH1A1MAPK1DDR1LMNAMAPT
SCHEMBL17529601 0.83 RORC (0.41) ALDH1A1MAPK1DDR1LMNAMAPT

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-114524819-A Pesticidally active polycyclic derivatives with sulfur-containing substituents 先正达参股股份有限公司 2022-05-24 CN disclosed