SCHEMBL1217501

SCHEMBL1217501

C=C(C[Si](C)(C)C)C(=O)OCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
NAAA Q02083 1/20 0.47
RAD52 P43351 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
EPHX1 P07099 1/20 0.44
HCAR2 Q8TDS4 1/20 0.41
LMNA P02545 2/20 0.40
FAAH O00519 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ACHE P22303 6/20 0.40
HTR2C P28335 1/20 0.39
DGKA P23743 1/20 0.39

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
SCHEMBL1218078 0.93 TSHR (0.50) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL1219576 0.85 TSHR (0.40) TSHRHCAR2LMNAALDH1A1
SCHEMBL375249 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL375676 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL3476008 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL26413 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL3503795 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL3627611 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL3503962 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL374874 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1

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-20110040056-A1 PROCESS FOR PRODUCTION OF POLYMER DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2011-02-17 US disclosed