SCHEMBL28548541

SCHEMBL28548541

CCOC(=O)C(=O)CC(=O)[C@H]1CC[C@H](C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
MAPT P10636 5/20 0.36
RAB9A P51151 1/20 0.35
RECQL P46063 1/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCRTR2 O43614 2/20 0.32
PI4KB Q9UBF8 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
GPR35 Q9HC97 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
SCHEMBL28548543 1.00 GAA (0.37) GAAMAPTRAB9ARECQLALDH1A1
SCHEMBL1694342 0.88 GAA (0.44) GAAMAPTRAB9ARECQLALDH1A1
SCHEMBL3993142 0.82 ALDH1A1 (0.44) GAAMAPTRAB9AALDH1A1POLB
SCHEMBL3388901 0.82 GAA (0.41) GAAMAPTRAB9AALDH1A1POLB
SCHEMBL27006521 0.81 GAA (0.42) GAAMAPTRAB9ARECQLALDH1A1
SCHEMBL27130827 0.81 GAA (0.42) GAAMAPTRAB9ARECQLALDH1A1
SCHEMBL24512542 0.80 ALDH1A1 (0.46) GAAMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL1739339 0.80 ALDH1A1 (0.46) GAAMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL6058686 0.78 MAPT (0.50) MAPTRECQLALDH1A1POLB
SCHEMBL15566435 0.78 GAA (0.37) GAAMAPTRAB9ARECQLALDH1A1

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-112424198-A Thiadiazine derivatives 吉瑞工厂 2021-02-26 CN disclosed