SCHEMBL31258574

SCHEMBL31258574

O=C(O)c1c(F)ccc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.47
CES1 P23141 6/20 0.47
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA4 P22748 2/20 0.41
BCHE P06276 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CAT P04040 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ALB P02768 1/20 0.37
FABP4 P15090 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL365563 1.00 CES2 (0.47) CES2CES1CA1CA2CA4
SCHEMBL30048528 0.86 CES2 (0.50) CES2CES1CA1CA2KDM4E
SCHEMBL3309453 0.86 CES2 (0.50) CES2CES1CA1CA2KDM4E
SCHEMBL3378267 0.84 CES2 (0.43) CES2CES1CA1CA2BCHE
Bicarbonate SCHEMBL7829383 0.84 CES2 (0.38) CES2CES1CA1CA2CA4
SCHEMBL6139209 0.84 CES2 (0.45) CES2CES1CA1CA2CA4
SCHEMBL1467095 0.83 DPP4 (0.50) CES2CES1KDM4EALDH1A1FABP4
SCHEMBL31197230 0.83 HSD17B1 (0.49) CES2CES1CA1CA2KDM4E
SCHEMBL30933127 0.83 CA1 (0.50) CES2CES1CA1CA2CA4
SCHEMBL3308958 0.83 CES2 (0.52) CES2CES1CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117177975-B Pyrimido [5,4, D ] pyrimidine compounds, compositions comprising the same and uses thereof 蒙特利尔大学 2026-05-19 CN disclosed
CN-120035595-A Thiazolo [5,4-d ] pyrimidine compounds, compositions comprising the same and uses thereof 蒙特利尔大学 2025-05-23 CN disclosed
WO-2024250497-A1 PHOTOELECTRIC DEVICE AND MANUFACTURING METHOD THEREFOR, AND DISPLAY APPARATUS TCL科技集团股份有限公司 2024-12-12 WO disclosed
CN-119095455-A Photoelectric device, preparation method thereof and display device TCL科技集团股份有限公司 2024-12-06 CN disclosed