SCHEMBL30767488

SCHEMBL30767488

O=C(CC(C(=O)O)C(=O)O)c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.58
ERCC5 P28715 1/20 0.58
FEN1 P39748 1/20 0.58
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.48
CTNNB1 P35222 2/20 0.46
WNT3A P56704 2/20 0.46
KMT2A Q03164 4/20 0.45
NPC1 O15118 4/20 0.45
MEN1 O00255 3/20 0.45
RAB9A P51151 3/20 0.45
KAT6A Q92794 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
GPR52 Q9Y2T5 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
SCHEMBL7797572 0.84 KDM4E (0.58) PTPN1ERCC5FEN1CES2CES1
SCHEMBL7791504 0.84 KDM4E (0.58) PTPN1ERCC5FEN1CES2CES1
SCHEMBL7797573 0.84 KDM4E (0.58) PTPN1ERCC5FEN1CES2CES1
Hydrochloric Acid SCHEMBL27418828 0.82 KDM4E (0.56) PTPN1ERCC5FEN1CES2CES1
Hydrochloric Acid SCHEMBL27418826 0.82 KDM4E (0.56) PTPN1ERCC5FEN1CES2CES1
SCHEMBL5847102 0.81 PTPN1 (0.53) PTPN1ERCC5FEN1CES2CES1
SCHEMBL28220980 0.80 PTPN1 (0.49) PTPN1ERCC5FEN1CES2CES1
SCHEMBL9431766 0.78 PTPN1 (0.50) PTPN1ERCC5FEN1CES2CES1
SCHEMBL27203850 0.78 PTPN1 (0.50) PTPN1ERCC5FEN1CES2CES1
SCHEMBL20508992 0.77 PTPN1 (0.74) PTPN1ERCC5FEN1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568960-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 EP disclosed
WO-2024033458-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-02-15 WO disclosed