SCHEMBL8722348

SCHEMBL8722348

CCCC(Br)OC(=O)CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
ESR1 P03372 2/20 0.36
HIF1A Q16665 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
RECQL P46063 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP3A4 P08684 3/20 0.34

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
Methoxymethane SCHEMBL7865469 0.96 ZDHHC7 (0.36) ALDH1A1ESR1HIF1ATDP1CHRM1
SCHEMBL27947472 0.84 ESR1 (0.35) ALDH1A1ESR1HIF1ARECQLKMT2A
SCHEMBL9490792 0.81
SCHEMBL6564561 0.81 TDP1 (0.39) ALDH1A1TDP1CHRM1AKR1A1CHRM3
SCHEMBL28002469 0.81 MGAM (0.43) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6152756 0.79
SCHEMBL6564566 0.79
SCHEMBL11327941 0.79
SCHEMBL28666055 0.77
SCHEMBL28650164 0.76 MEN1 (0.46) ALDH1A1TDP1CHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866816-A1 LINEAR BLOCK POLYMER COMPRISING UREA AND URETHANE GROUPS, METHOD FOR THE PRODUCTION OF LINEAR BLOCK POLYMERS AND USE OF THE BLOCK POLYMERS AS IMPLANTS Artimplant Development Artdev AB (SE) 1998-09-30 EP disclosed
WO-1997022643-A1 LINEAR BLOCK POLYMER COMPRISING UREA AND URETHANE GROUPS, METHOD FOR THE PRODUCTION OF LINEAR BLOCK POLYMERS AND USE OF THE BLOCK POLYMERS AS IMPLANTS ARTIMPLANT DEVELOPMENT ARTDEV AB (SE) 1997-06-26 WO disclosed