SCHEMBL5293375

SCHEMBL5293375

C=C(CCBr)C(=O)OCCC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
THRB P10828 1/20 0.37
HCAR2 Q8TDS4 1/20 0.34
ALDH1A1 P00352 5/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DGKA P23743 1/20 0.31
TRPA1 O75762 1/20 0.31
HPGD P15428 1/20 0.31
FAAH O00519 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
SCHEMBL3476011 0.85 TSHR (0.44) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL27542979 0.84 TSHR (0.40) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL5297547 0.83 TSHR (0.42) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL17114710 0.83 ALDH1A1 (0.45) TSHRTHRBALDH1A1GAASMN1; SMN2
SCHEMBL5716610 0.82 TSHR (0.41) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL3477341 0.82 TSHR (0.50) TSHRTHRBHCAR2ALDH1A1DGKA
SCHEMBL5310141 0.80
SCHEMBL2951935 0.80 TSHR (0.40) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL11142420 0.80 TSHR (0.53) TSHRALDH1A1ESR1TDP1DGKA
SCHEMBL18007115 0.80 FFAR3 (0.41) TSHRTHRBHCAR2ALDH1A1GAA

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
WO-2007007332-A1 TRIBROMONEOPENTYL (METH)ACRYLATE BASED COPOLYMERS AND LENSES MADE THEREFROM H.P.O.P - HIGH PERFORMANCE OPTICAL POLYMERS LTD. (IL) 2007-01-18 WO disclosed