SCHEMBL30929499

SCHEMBL30929499

O=C(O)/C=C/C1(c2ccccc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.44
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
RARG P13631 2/20 0.37
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
HCAR2 Q8TDS4 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
TNKS O95271 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL30929519 0.81 HDAC4 (0.43) HDAC4ALDH1A1GAAHCAR2HDAC3
SCHEMBL29275064 0.74 HDAC4 (0.43) HDAC4OPRM1OPRD1OPRK1OPRL1
SCHEMBL872760 0.73 HDAC4 (0.44) HDAC4ALDH1A1GAAOPRM1OPRD1
SCHEMBL1820199 0.73 HDAC4 (0.44) HDAC4ALDH1A1GAAOPRM1OPRD1
SCHEMBL19207779 0.71 RARG (0.34) HDAC4ALDH1A1RARGRXRARXRB
SCHEMBL19207778 0.71 RARG (0.34) HDAC4ALDH1A1RARGRXRARXRB
SCHEMBL27485481 0.70 ALDH1A1 (0.37) HDAC4ALDH1A1GAAHCAR2HDAC3
SCHEMBL10467575 0.70 ALDH1A1 (0.39) HDAC4ALDH1A1GAARARGRXRA
SCHEMBL31125559 0.69 HDAC4 (0.59) HDAC4OPRM1OPRD1OPRK1OPRL1
SCHEMBL28820064 0.69 HDAC4 (0.39) HDAC4OPRM1OPRD1OPRK1OPRL1

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