SCHEMBL5599523

SCHEMBL5599523

NC(CC=O)CCCCCCCCC=O.[CaH2]

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
HIF1A Q16665 1/20 0.38
FAAH O00519 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
S1PR2 O95136 5/20 0.32
S1PR1 P21453 5/20 0.32
S1PR3 Q99500 5/20 0.32
S1PR4 O95977 4/20 0.32

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
SCHEMBL10707550 0.98 TSHR (0.41) TSHRHIF1AFAAHTRPV1S1PR2
SCHEMBL26688339 0.79
SCHEMBL5268021 0.78 S1PR2 (0.48) TSHRFAAHTRPV1S1PR2S1PR1
SCHEMBL26661845 0.77 GSR (0.41) TSHR
SCHEMBL19816443 0.77 TSHR (0.67) TSHRFAAHTRPV1S1PR2S1PR1
Hydrochloric Acid SCHEMBL10815280 0.77 S1PR2 (0.47) TSHRFAAHTRPV1S1PR2S1PR1
Hydrochloric Acid SCHEMBL2116887 0.77 S1PR2 (0.47) TSHRFAAHTRPV1S1PR2S1PR1
SCHEMBL11497762 0.77 TSHR (0.54) TSHRHIF1AFAAHTRPV1S1PR2
SCHEMBL690898 0.77 TSHR (0.46) TSHRHIF1AFAAHTRPV1
SCHEMBL8487319 0.77 TSHR (0.46) TSHRHIF1AFAAHTRPV1

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-20070231403-A1 Natural composite preservatives BIOSPECTRUM, INC. (KR) 2007-10-04 US disclosed