SCHEMBL31325975

SCHEMBL31325975

O=C(CCOCC#CCO)N1CCN(C(=O)CCOCC#CCO)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 4/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
HRH3 Q9Y5N1 2/20 0.32
NPC1 O15118 3/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL31325986 0.82 TSHR (0.40)
SCHEMBL31325972 0.73
SCHEMBL31325992 0.70 TSHR (0.44) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL21568749 0.69 MEN1 (0.40) MEN1KMT2AGAAPOLB
SCHEMBL9723662 0.69
SCHEMBL31325988 0.68 CYP1A2 (0.40) ALDH1A1KMT2ALMNACYP3A4HSD17B10
SCHEMBL8516939 0.67
SCHEMBL31325974 0.67 DGKA (0.39) ALDH1A1L3MBTL1MAPT
SCHEMBL31325980 0.67 EPHX2 (0.31)
SCHEMBL674446 0.66 LMNA (0.68) HPGDALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025016796-A1 3-(4-HYDROXYBUT-2-YNOXY)PROPANOIC ACID ESTER, AMIDE AND NITRILE DERIVATIVES AS CORROSION PROTECTION AGENTS BASF SE (DE) 2025-01-23 WO disclosed