SCHEMBL8840933

SCHEMBL8840933

CCCCCOCCCC=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
FAAH O00519 2/20 0.54
TRPV1 Q8NER1 2/20 0.54
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.43
CES2 O00748 1/20 0.43
HIF1A Q16665 1/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL1301661 0.98 TSHR (0.65) TSHRFAAHTRPV1MEN1THRB
SCHEMBL13474797 0.98 TSHR (0.65) TSHRFAAHTRPV1MEN1THRB
SCHEMBL820598 0.98 TSHR (0.65) TSHRFAAHTRPV1MEN1THRB
SCHEMBL10441178 0.95 TSHR (0.68) TSHRFAAHTRPV1MEN1THRB
SCHEMBL10584770 0.93 TSHR (0.73) TSHRFAAHTRPV1MEN1THRB
SCHEMBL15923909 0.93 TSHR (0.73) TSHRFAAHTRPV1MEN1THRB
SCHEMBL678273 0.93 TSHR (0.73) TSHRFAAHTRPV1MEN1THRB
SCHEMBL15593792 0.93 TSHR (0.73) TSHRFAAHTRPV1MEN1THRB
SCHEMBL8386491 0.93 TSHR (0.73) TSHRFAAHTRPV1MEN1THRB
SCHEMBL19775094 0.93 TSHR (0.73) TSHRFAAHTRPV1MEN1THRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9067315-A None JP disclosed
US-8420068-B2 Polymer-based compositions and conjugates of antimicrobial agents NEKTAR THERAPEUTICS (US) 2013-04-16 US disclosed
JP-H0967315-A PRODUCTION 4-ACYLOXY-1-BUTANAL KURARAY CO LTD 1997-03-11 JP disclosed
EP-0357372-A2 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-07 EP disclosed