SCHEMBL8105512

SCHEMBL8105512

C[C@H](C(=O)Cl)n1ccn(-c2ccc(OCC(F)(F)C(F)F)cc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.40
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.37
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
LIPE Q05469 5/20 0.32
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL8872841 1.00 ACACB (0.40) ACACBHTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8097559 0.90 ACACB (0.41) ACACBHTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8873939 0.90 ACACB (0.41) ACACBHTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8097571 0.83 KMT2A (0.38) ACACBHTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8097580 0.82 MAPT (0.41) ACACBHTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8111202 0.81 KDM4E (0.37) ACACBHTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8872835 0.79 HTT (0.39) ACACBHTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8872391 0.79 HTT (0.39) ACACBHTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7687627 0.77 HTT (0.39) ACACBHTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8873931 0.76 HTT (0.39) ACACBHTTKMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033367-A2 Process for the preparation of optically active triazole derivatives and their imidazolidin-2-one intermediates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-06 EP disclosed
EP-0687672-A2 Production of optically active triazole compounds and their intermediates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-20 EP disclosed