SCHEMBL31444773

SCHEMBL31444773

CC(C)(C(=O)O)c1ncc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.40
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
APP P05067 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
SSTR4 P31391 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
PDK2 Q15119 4/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
PTGER4 P35408 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
MAP4K4 O95819 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
SCHEMBL31445520 0.83 AGBL2 (0.38) AGBL2AKR1C3AKR1C2APPHCAR2
SCHEMBL10204646 0.77 AGBL2 (0.32) AGBL2SSTR4
SCHEMBL24608429 0.74 MGLL (0.36) SSTR4HDAC3HDAC1HDAC2PDK2
SCHEMBL29700897 0.74 MGLL (0.36) SSTR4HDAC3HDAC1HDAC2PDK2
SCHEMBL29750535 0.73 P4HTM (0.42) HDAC3HDAC1HDAC2
SCHEMBL24608426 0.73 AGBL2 (0.31) AGBL2
SCHEMBL22932532 0.72 AGBL2 (0.32) AGBL2
SCHEMBL31445203 0.72 AGBL2 (0.38) AGBL2AKR1C3AKR1C2APPHCAR2
SCHEMBL15204584 0.72 AGBL2 (0.38) AGBL2AKR1C3AKR1C2APPHCAR2
SCHEMBL29700926 0.71 NAPRT (0.42) AKR1C3AKR1C2APPKDM4ESLC22A12

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
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed