SCHEMBL31066516

SCHEMBL31066516

O=C(O)C(c1ccccc1)C1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1E P28566 2/20 0.47
S1PR3 Q99500 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CHRM3 P20309 3/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A3 Q01959 2/20 0.42
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL66920 0.87 LMNA (0.54) HTR1ES1PR3MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL11359974 0.85 LMNA (0.53) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL6218234 0.85 HTR1E (0.46) HTR1ES1PR3LMNAALDH1A1CYP2C19
SCHEMBL6218048 0.85 HTR1E (0.46) HTR1ES1PR3LMNAALDH1A1CYP2C19
SCHEMBL31066507 0.85 BCL2A1 (0.51) ALDH1A1
SCHEMBL28622389 0.83 HTR1E (0.65) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL69127 0.83 HTR1E (0.65) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL67619 0.83 HTR1E (0.60) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL12531975 0.81 HTR1E (0.63) HTR1ES1PR3MEN1KMT2ALMNA
SCHEMBL17844351 0.81 CYP2D6 (0.43) HTR1ES1PR3MEN1KMT2ALMNA

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-2024182447-A1 COMPOUNDS AND METHODS FOR MODULATING RAS-PI3K VIVIDION THERAPEUTICS, INC. (US) 2024-09-06 WO disclosed