SCHEMBL30917833

SCHEMBL30917833

O=C(O)CCCc1ccc(Br)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.44
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ACLY P53396 2/20 0.43
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL29673140 0.83 PPARG (0.52) F13A1ACLYHDAC3MAPK1ADRA1A
SCHEMBL24543280 0.83 PPARG (0.52) F13A1ACLYHDAC3MAPK1ADRA1A
SCHEMBL27849373 0.82 PYCR1 (0.41) MAPK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL4778926 0.82 ACLY (0.58) ACLY
SCHEMBL14793793 0.81 F13A1 (0.46) F13A1ACLYHDAC3MAPK1ADRA1A
SCHEMBL15270886 0.81 POLB (0.49) F13A1KDM4ETDP1HDAC3MAPK1
Hydrochloric Acid SCHEMBL9083841 0.81 ACLY (0.57) ACLY
SCHEMBL28629668 0.81 F13A1 (0.46) F13A1KDM4ETDP1HDAC3MAPK1
SCHEMBL473923 0.80 GRIK1 (0.46)
SCHEMBL29899638 0.80 GRIK1 (0.46)

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-4622716-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2025-10-01 EP disclosed
WO-2024112654-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2024-05-30 WO disclosed