SCHEMBL4911652

SCHEMBL4911652

C=COC(C)=O.CCCCCCOC(=O)C(CC)=C1CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
NAAA Q02083 3/20 0.40
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HCAR2 Q8TDS4 2/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX1 P07099 1/20 0.35
LMNA P02545 1/20 0.35
PRKCA P17252 4/20 0.34

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
SCHEMBL971459 0.86 NAAA (0.52) TSHRNAAAALDH1A1HCAR2RAD52
SCHEMBL1245965 0.80 TSHR (0.57) TSHRNAAAALDH1A1HPGDHCAR2
SCHEMBL11525707 0.79 TSHR (0.75) TSHRNAAAALDH1A1HPGDHCAR2
SCHEMBL28149809 0.79 TSHR (0.75) TSHRNAAAALDH1A1HPGDHCAR2
SCHEMBL28471522 0.79 TSHR (0.75) TSHRNAAAALDH1A1HPGDHCAR2
SCHEMBL10477306 0.76 TSHR (0.69) TSHRNAAAALDH1A1HPGDHCAR2
SCHEMBL8746230 0.75 TSHR (0.48) TSHRNAAAALDH1A1HPGDHCAR2
Dodecane SCHEMBL28125774 0.75 TSHR (0.46) TSHRALDH1A1HPGDLMNA
SCHEMBL27260770 0.75 TSHR (0.46) TSHRALDH1A1HPGDLMNA
SCHEMBL28213220 0.75 TSHR (0.46) TSHRALDH1A1HPGDLMNA

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-20080044565-A1 PROCESS FOR APPLYING A POLYVINYL ESTER DISPERSION-BASED ADHESIVE BY MEANS OF NOZZLE APPLICATION AND USE OF POLYVINYL ESTER DISPERSION-BASED ADHESIVES CELANESE EMULSIONS GMBH (DE) 2008-02-21 US disclosed