SCHEMBL32677337

SCHEMBL32677337

CCOC(=O)/C=C/Cc1cc(F)c(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
TTR P02766 1/20 0.43
DPP4 P27487 1/20 0.43
MAPT P10636 4/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 1/20 0.38
XPO1 O14980 2/20 0.38
MAOB P27338 1/20 0.37
CNKSR1 Q969H4 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
MDM2 Q00987 1/20 0.35
FDPS P14324 1/20 0.35

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
SCHEMBL12971288 0.84 DPP4 (0.40) TTRDPP4MAPTHCAR2CA12
SCHEMBL12971290 0.84 DPP4 (0.40) TTRDPP4MAPTHCAR2CA12
SCHEMBL4111371 0.83 APP (0.47) CYP3A4TTRMAPTALDH1A1LMNA
SCHEMBL4111368 0.83 APP (0.47) CYP3A4TTRMAPTALDH1A1LMNA
SCHEMBL1511465 0.80 MAPT (0.49) CYP3A4TTRDPP4MAPTCA12
SCHEMBL1511462 0.80 MAPT (0.49) CYP3A4TTRDPP4MAPTCA12
SCHEMBL15853223 0.78 DPP4 (0.34) CYP3A4DPP4
SCHEMBL14127537 0.76 MIF (0.36) CYP3A4DPP4ALDH1A1LMNA
SCHEMBL14127535 0.76 MIF (0.36) CYP3A4DPP4ALDH1A1LMNA
SCHEMBL2691257 0.76 FDPS (0.48) CYP3A4TTRDPP4MAPTALDH1A1

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-121554473-A Sitagliptin Synthesis method of statin 杭州新曦科技有限公司 2026-02-24 CN disclosed