SCHEMBL9130322

SCHEMBL9130322

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
ENPEP Q07075 1/20 0.40
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
CYP2C19 P33261 1/20 0.37
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TET2 Q6N021 3/20 0.33
KDM4A O75164 2/20 0.33

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
SCHEMBL27889470 0.81 ALDH1A1 (0.39) ALDH1A1TSHRENPEPTHRBRECQL
SCHEMBL6828014 0.79 LCK (0.38) ALDH1A1TSHRENPEPTHRBRECQL
SCHEMBL28123 0.78 ENPEP (0.55) ALDH1A1TSHRENPEPTHRBRECQL
SCHEMBL28475499 0.78 CHRM1 (0.52) ALDH1A1TSHRTHRBRECQLCHRM1
SCHEMBL19745135 0.77 LCK (0.41) ALDH1A1TSHRENPEPTHRBRECQL
SCHEMBL7931050 0.77 LCK (0.41) ALDH1A1TSHRENPEPTHRBRECQL
SCHEMBL9697909 0.77 LCK (0.41) ALDH1A1TSHRENPEPTHRBRECQL
SCHEMBL27861319 0.77 LCK (0.41) ALDH1A1TSHRENPEPTHRBRECQL
SCHEMBL7068407 0.75
SCHEMBL4892018 0.75

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
EP-0367131-B1 Light-sensitive composition BASF AG (DE) 1995-02-22 EP claimed
US-5035979-A Radiation-sensitive mixture BASF AKTIENGESELLSCHAFT (DE) 1991-07-30 US claimed
US-5440031-A Form stable complexes with radioactive metal ions which can be eliminated from organism Orszagos "Frederic Joliot-Curie" Sugar-biologiai es Sugaregeszsegugyi Kutato Intezet (HU) 1995-08-08 US disclosed
EP-0463123-A1 1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE FOR THE REMOVAL OF TOXIC METAL IONS AND RADIOACTIVE ISOTOPES FROM THE LIVING ORGANISM ORSZAGOS "FREDERIC JOLIOT-CURIE" SUGARBIOLOGIA ES SUGAREGESZSEGUGYI KUTATO INTEZET (HU) 1992-01-02 EP disclosed
WO-1991010655-A1 1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE FOR THE REMOVAL OF TOXIC METAL IONS AND RADIOACTIVE ISOTOPES FROM THE LIVING ORGANISM ORSZÁGOS 'FREDERIC JOLIOT-CURIE' SUGÁRBIOLÓGIAI ÉS SUGÁREGÉSZSÉGÜGYI KUTATÓ INTÉZET (HU) 1991-07-25 WO disclosed
US-3993468-A INCREASING SUCROSE CONTENT MONSANTO COMPANY (US) 1976-11-23 US disclosed