SCHEMBL29010063

SCHEMBL29010063

O=C(O)C(F)c1cccc(C(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.44
PGK2 P07205 1/20 0.44
SRC P12931 2/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 4/20 0.41
PTGS1 P23219 3/20 0.41
MAPT P10636 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
PTGS2 P35354 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HIF1A Q16665 2/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
PMP22 Q01453 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41

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
SCHEMBL3232636 0.82 KYNU (0.51) SRCCYP2D6LMNAMAPK1KDM4E
SCHEMBL868951 0.82 HDAC4 (0.53) KDM4E
SCHEMBL23972853 0.82 LMNA (0.59) PGK1PGK2SRCCYP2D6LMNA
SCHEMBL868719 0.80 ACP3 (0.50) LMNASMN1; SMN2HSD17B10KEAP1NFE2L2
SCHEMBL1561738 0.80 MEN1 (0.51) SRCLMNAMAPTALDH1A1HPGD
SCHEMBL4216587 0.80 ALDH1A1 (0.44) SRCCYP2D6LMNAMAPK1ALDH1A1
SCHEMBL14660982 0.80 PGK1 (0.41) PGK1PGK2SRCCYP2D6LMNA
SCHEMBL19415782 0.80 HSD17B10 (0.50) PGK1PGK2SRCCYP2D6LMNA
SCHEMBL241909 0.80 SRC (0.56) SRCCYP2D6LMNAMAPK1KEAP1
SCHEMBL28232530 0.80 SRC (0.56) SRCCYP2D6LMNAMAPK1KEAP1

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-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed