SCHEMBL31075302

SCHEMBL31075302

CCOC(=O)C(CCC(F)(F)F)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 4/20 0.36
MMP8 P22894 1/20 0.36
POLB P06746 3/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
PIN1 Q13526 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33

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
SCHEMBL8157644 0.92 TDP1 (0.42) TDP1MEN1KMT2AALDH1A1POLB
SCHEMBL15920999 0.85 TDP1 (0.36) TDP1MEN1KMT2AALDH1A1MMP8
SCHEMBL29903714 0.84 TDP1 (0.39) TDP1MEN1KMT2AALDH1A1MMP8
SCHEMBL5855659 0.82 TDP1 (0.43) TDP1MEN1KMT2AALDH1A1MMP8
SCHEMBL19465643 0.79 ALDH1A1 (0.39) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL3080153 0.79 TDP1 (0.48) TDP1MEN1KMT2AALDH1A1MMP8
SCHEMBL27430163 0.78 ENPEP (0.37) TDP1ALDH1A1AAK1HTT
SCHEMBL15920997 0.77 TDP1 (0.38) TDP1MEN1KMT2AALDH1A1POLB
SCHEMBL20473354 0.77 ALDH1A1 (0.40) TDP1MEN1KMT2AALDH1A1MMP8
SCHEMBL9627652 0.77 TDP1 (0.43) TDP1MEN1KMT2AALDH1A1MMP8

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
WO-2024177984-A1 BENZOTHIA(DIA)ZEPINE COMPOUNDS FOR TREATMENT OF HBV AND HDV ASSEMBLY BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed