SCHEMBL5297547

SCHEMBL5297547

C=C(CBr)C(=O)OCCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 6/20 0.38
TRPA1 O75762 2/20 0.38
HCAR2 Q8TDS4 1/20 0.36
FAAH O00519 1/20 0.35
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL6658341 0.88 TSHR (0.53) TSHRTHRBSMN1; SMN2ALDH1A1HCAR2
SCHEMBL5293375 0.83 TSHR (0.40) TSHRTHRBSMN1; SMN2GAAALDH1A1
SCHEMBL377096 0.82
SCHEMBL3478021 0.82 TSHR (0.45) TSHRTHRBSMN1; SMN2GAAALDH1A1
Propene SCHEMBL2165018 0.81 THRB (0.38) TSHRTHRBALDH1A1TRPA1CYP2C19
SCHEMBL26129017 0.80 TSHR (0.44) TSHRTHRBSMN1; SMN2GAAALDH1A1
SCHEMBL52703 0.80 TSHR (0.44) TSHRTHRBSMN1; SMN2GAAALDH1A1
SCHEMBL3476011 0.80 TSHR (0.44) TSHRTHRBSMN1; SMN2GAAALDH1A1
SCHEMBL4096843 0.80 TSHR (0.44) TSHRTHRBSMN1; SMN2GAAALDH1A1
SCHEMBL4829187 0.78 TSHR (0.42) TSHRTHRBSMN1; SMN2GAAALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113329693-A Laminated manufacture of radiological prostheses 斯特拉塔西斯公司 2021-08-31 CN disclosed
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
EP-1123915-B1 Process for producing alpha, beta-unsaturated carboxylic acid esters and catalyst for use in such process NIPPON CATALYTIC CHEM IND (JP) 2004-07-28 EP disclosed
US-6541656-B2 Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound NIPPON SHOKUBAI COMPANY, LTD. (JP) 2003-04-01 US disclosed
US-20010034300-A1 Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound NIPPON SHOKUBAI COMPANY LTD. (JP) 2001-10-25 US disclosed
EP-1123915-A1 Process for producing alpha, beta-unsaturated carboxylic acid esters and catalyst for use in such process Nippon Shokubai Co., Ltd. (JP) 2001-08-16 EP disclosed