SCHEMBL31290484

SCHEMBL31290484

CCCCOC(=O)CCSc1ccoc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.38
DGKA P23743 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
PTGS2 P35354 1/20 0.36
GAA P10253 1/20 0.36
PLA2G4B P0C869 1/20 0.36
HPGD P15428 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
SCHEMBL31290457 0.88 KDM4E (0.44) SMN1; SMN2HTTRAB9AALDH1A1TSHR
SCHEMBL31290388 0.86 ALDH1A1 (0.36) HTTALDH1A1MAPK1L3MBTL1ATM
SCHEMBL2968803 0.75 MAP2K7 (0.43) HTTALDH1A1TSHRTDP1POLB
SCHEMBL26220850 0.71 DGKA (0.53) ALDH1A1TSHRMAPK1ATMDGKA
SCHEMBL31290498 0.70 POLB (0.50) SMN1; SMN2RAB9AALDH1A1MAPK1TDP1
SCHEMBL9764276 0.70 ALDH1A1 (0.53) SMN1; SMN2RAB9AALDH1A1TSHRMAPK1
SCHEMBL112324 0.69 DGKA (0.55) ALDH1A1TSHRMAPK1ATMDGKA
SCHEMBL12456987 0.69 DGKA (0.55) ALDH1A1TSHRMAPK1ATMDGKA
SCHEMBL9763783 0.69 ATM (0.52) RAB9AALDH1A1TSHRATMDGKA
SCHEMBL434346 0.68 ALDH1A1 (0.57) SMN1; SMN2RAB9AALDH1A1TSHRTDP1

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-4731739-A1 NEW COMPOUNDS Givaudan SA (CH) 2026-04-29 EP disclosed
WO-2024261201-A1 NEW COMPOUNDS GIVAUDAN SA (CH) 2024-12-26 WO disclosed