SCHEMBL6940800

SCHEMBL6940800

CC(C)(C)COB(O)c1ccc(CBr)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
TRPA1 O75762 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
NUDT1 P36639 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL31416487 0.80 ENPP2 (0.41) ALDH1A1TSHRCA1CA2
SCHEMBL31416563 0.79 ORAI1 (0.43) ALDH1A1
SCHEMBL20338457 0.77 CA1 (0.52) ALDH1A1CA1CA2
Ethylene Glycol SCHEMBL28300855 0.76 CA2 (0.41) LPLLIPGCA2
SCHEMBL31416532 0.76 HTT (0.35)
SCHEMBL7283359 0.75 TSHR (0.39) LPLLIPGTRPA1ALDH1A1TSHR
SCHEMBL20338444 0.75 NUDT1 (0.35) ALDH1A1NUDT1
SCHEMBL1129027 0.75 LPL (0.32) LPLLIPG
SCHEMBL31416620 0.72
SCHEMBL31416541 0.71 SMN1; SMN2 (0.45) ALDH1A1TSHRCA1CA2

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-6526828-B1 Sensitive and selective method and device for the detection of trace amounts of a substance M.S. TECH LTD. (IL) 2003-03-04 US disclosed