SCHEMBL9486335

SCHEMBL9486335

O=C(O)[C@H](CCS)NC(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACE P12821 1/20 0.34
ENPEP Q07075 2/20 0.33
ANPEP P15144 1/20 0.33
RIMKLA Q8IXN7 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33
TGFBR1 P36897 1/20 0.32
MME P08473 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC7A11 Q9UPY5 1/20 0.30

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
SCHEMBL9633039 1.00 FOLH1 (0.38) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL218863 0.80 FOLH1 (0.39) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL5729609 0.80 FOLH1 (0.39) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL1023301 0.79 FOLH1 (0.32) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL31510814 0.78 ACE (0.42) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL313185 0.77 ACE (0.41) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL27624628 0.77 ACE (0.41) FOLH1KDM4EMAPTTHRBALOX15
SCHEMBL8735 0.75 FOLH1 (0.46) FOLH1KDM4EMAPTBLMSMN1; SMN2
SCHEMBL5319987 0.75 KMT2A (0.47) FOLH1ALOX15BLMRIMKLANAALAD2
SCHEMBL8734 0.75 FOLH1 (0.46) FOLH1KDM4EMAPTBLMSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0367033-B1 S-DIFLUOROMETHYLHOMOCYSTEINES, PREPARATION PROCESS, AND INSECTICIDAL COMPOSITIONS SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-02-10 EP disclosed
US-5166425-A Reaction of homocysteine and sodium salt with chlorodifluoro methane in the presence of potassium tert-butoxide SHIONOGI & CO., LTD. (JP) 1992-11-24 US disclosed
EP-0367033-A1 S-Difluoromethylhomocysteines, preparation process, and insecticidal compositions SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1990-05-09 EP disclosed