SCHEMBL32680464

SCHEMBL32680464

CC(=O)OC(O)CCC(C)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GALR3 O60755 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
TRPV1 Q8NER1 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 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
SCHEMBL11561333 0.90 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9511056 0.81 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL446905 0.78
SCHEMBL10977945 0.78
SCHEMBL28445599 0.76 TSHR (0.40) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL202086 0.76
SCHEMBL7481741 0.74 ALOX15 (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL861395 0.74 ALDH1A1 (0.43) TSHRALDH1A1LMNA
Methoxymethane SCHEMBL3382894 0.74 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9250546 0.73 GPR84 (0.47) MAPTALDH1A1

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
EP-4703476-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE ALKYL DIOLS AND DERIVATIVES THEREOF Technische Universität Graz (AT) 2026-03-04 EP disclosed