SCHEMBL26041906

SCHEMBL26041906

CCCCOCCN=C(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CES2 O00748 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
HPGD P15428 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
USP2 O75604 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
SCHEMBL10298186 0.76 TSHR (0.50) TSHRMEN1KMT2ATHRBHTT
SCHEMBL5690898 0.75 TSHR (0.52) TSHRMEN1KMT2ATHRBHTT
SCHEMBL6655170 0.75
Hydrogen Peroxide SCHEMBL28446111 0.74 TSHR (0.72) TSHRMEN1KMT2ATHRBHTT
Methyl Alcohol SCHEMBL2390958 0.74 TSHR (0.72) TSHRMEN1KMT2ATHRBHTT
SCHEMBL15167 0.74
SCHEMBL8600029 0.74 TSHR (0.71) TSHRMEN1KMT2ATHRBHTT
SCHEMBL439119 0.74 TSHR (0.71) TSHRMEN1KMT2ATHRBHTT
SCHEMBL28748446 0.74 TSHR (0.71) TSHRMEN1KMT2ATHRBHTT
SCHEMBL5932549 0.73 TSHR (0.50) TSHRMEN1KMT2ATHRBHTT

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-4234550-A2 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2023-08-30 EP disclosed