SCHEMBL5960902

SCHEMBL5960902

CCCC(I)CCN(CCC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
TDP1 Q9NUW8 2/20 0.35
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
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL498097 0.82 CA12 (0.39) CA12CA2CA9TDP1CHRM1
SCHEMBL1022097 0.81 CHRM1 (0.31) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL41505 0.78 CA12 (0.55) CA12CA2CA9TDP1HDAC1
Hydrochloric Acid SCHEMBL10822973 0.76 CA12 (0.52) CA12CA2CA9TDP1HDAC1
Bromide SCHEMBL11753648 0.76 CA12 (0.52) CA12CA2CA9TDP1HDAC1
SCHEMBL27888863 0.73 SLC1A2 (0.44) TSHRNFKB1
SCHEMBL5133203 0.70 CA12 (0.54) CA12CA2CA9TDP1HDAC1
SCHEMBL77048 0.70 CA12 (0.46) CA12CA2CA9TDP1HDAC1
SCHEMBL28055193 0.70 CA12 (0.46) CA12CA2CA9TDP1HDAC1
SCHEMBL331800 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0953634-B1 COMPOSITION FOR TREATING POROUS ARTICLE, TREATMENT METHOD, AND USE THEREOF SDS BIOTECH CORP (JP) 2006-06-07 EP disclosed
US-20030017565-A1 COMPOSITION AND METHOD FOR TREATING A POROUS ARTICLE AND USE THEREOF SDS BIOTECH K.K. (JP) 2003-01-23 US disclosed
EP-0953634-A1 COMPOSITION FOR TREATING POROUS ARTICLE, TREATMENT METHOD, AND USE THEREOF SHOWA DENKO KABUSHIKI KAISHA (JP) 1999-11-03 EP disclosed