SCHEMBL29017306

SCHEMBL29017306

O=CCOC(=O)CC(=O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.32
PLOD3 O60568 1/20 0.32
PLOD1 Q02809 1/20 0.32
CA3 P07451 1/20 0.31
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL3333968 0.82 TDP1 (0.42) PLOD2PLOD3PLOD1GAA
SCHEMBL77331 0.74 GAA (0.61) MGAMGAASIMGAM2
SCHEMBL3662332 0.73 CA3 (0.31) CA3CA5ACA5B
SCHEMBL1162121 0.73 LDHA (0.38) MGAMGAASIMGAM2
SCHEMBL10139383 0.72 TSHR (0.35) PLOD2PLOD3PLOD1MGAMGAA
SCHEMBL7406648 0.72 GAA (0.58) MGAMGAASIMGAM2
SCHEMBL3265478 0.72 GAA (0.58) MGAMGAASIMGAM2
SCHEMBL7210415 0.72 GAA (0.58) MGAMGAASIMGAM2
Water SCHEMBL10546276 0.72 GAA (0.58) MGAMGAASIMGAM2
SCHEMBL4466465 0.72 PLOD2 (0.39) PLOD2PLOD3PLOD1HDAC6

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-113651761-B Synthesis method of bixafen precursor 上海恩氟佳科技有限公司 2023-06-23 CN disclosed