SCHEMBL25848548

SCHEMBL25848548

O=C1CC(COCC2CO2)O1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 9/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 5/20 0.37
HBB P68871 1/20 0.37
CYP3A4 P08684 2/20 0.34
HIF1A Q16665 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
GLA P06280 1/20 0.32
MAPT P10636 3/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 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
SCHEMBL12903298 0.91 SMN1; SMN2 (0.42) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL22571270 0.78
SCHEMBL25848483 0.78 ALDH1A1 (0.47) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL2933673 0.78
SCHEMBL15245 0.78
SCHEMBL2933671 0.78
SCHEMBL4623846 0.78
SCHEMBL4895623 0.78 TSHR (0.68) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
Formaldehyde SCHEMBL796745 0.76 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL5966309 0.76 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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
US-20230227605-A1 BETAPROPIOLACTONE AND FUNCTIONALIZED BETAPROPIOLACTONE BASED POLYMER SYSTEMS NOVOMER, INC. 2023-07-20 US disclosed