SCHEMBL11001294

SCHEMBL11001294

CCCCOCCOOC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
CYP3A4 P08684 1/20 0.44
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CES2 O00748 2/20 0.38
RARB P10826 1/20 0.38
ATM Q13315 1/20 0.36
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL9277097 0.87
SCHEMBL8735180 0.82 ALDH1A1 (0.50) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL439053 0.81 NAAA (0.43) TSHRCYP3A4MAPTMEN1KMT2A
Urea SCHEMBL8373138 0.80 TSHR (0.59) TSHRCYP3A4MAPTMEN1THRB
Urea SCHEMBL27771105 0.80 TSHR (0.59) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL30232738 0.80 ALDH1A1 (0.48) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL8431991 0.79 TSHR (0.48) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL28747969 0.79 NAAA (0.47) TSHRCYP3A4MAPTMEN1KMT2A
SCHEMBL9004278 0.79 TSHR (0.48) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL11554689 0.79 TSHR (0.48) TSHRCYP3A4MAPTMEN1THRB

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-4497963-A ETHYLENICALLY UNSATURADED POLYMERS BASF AKTIENGESELLSCHAFT (DE) 1985-02-05 US disclosed