SCHEMBL30929573

SCHEMBL30929573

COC(=O)/C=C/CNc1cc(F)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.46
APP P05067 1/20 0.46
PTPN1 P18031 1/20 0.43
MAPT P10636 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX2 P34913 1/20 0.40
HTT P42858 3/20 0.37
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37

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
SCHEMBL3354613 0.83 POLB (0.49) TTRAPPPTPN1MAPTMEN1
SCHEMBL3354607 0.83 POLB (0.49) TTRAPPPTPN1MAPTMEN1
SCHEMBL27736560 0.73 ALDH1A1 (0.73) TTRAPPPTPN1MAPTMEN1
SCHEMBL953856 0.69 ALDH1A1 (0.44) TTRAPPPTPN1MAPTMEN1
SCHEMBL953855 0.69 ALDH1A1 (0.44) TTRAPPPTPN1MAPTMEN1
SCHEMBL958846 0.69 ALDH1A1 (0.58) TTRAPPPTPN1MAPTMEN1
SCHEMBL958847 0.69 ALDH1A1 (0.58) TTRAPPPTPN1MAPTMEN1
SCHEMBL22877141 0.69 MAPT (0.48) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL8856037 0.68 SMN1; SMN2 (0.43) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL956043 0.68 ALDH1A1 (0.43) TTRAPPPTPN1MAPTMEN1

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-4626865-A1 CYCLIC PYRAZOLE DIAMIDE IRE1/XBP1S ACTIVATORS Protego Biopharma, Inc. (US) 2025-10-08 EP disclosed
WO-2024118810-A1 CYCLIC PYRAZOLE DIAMIDE IRE1/XBP1S ACTIVATORS PROTEGO BIOPHARMA, INC. (US) 2024-06-06 WO disclosed