SCHEMBL8082913

SCHEMBL8082913

ClCCCCn1c[c]c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.38
CCND1 P24385 3/20 0.38
SLC9A1 P19634 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.30
STAT3 P40763 1/20 0.30
HTT P42858 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
SCHEMBL2946816 0.83 CNR2 (0.39) CDK4CCND1
SCHEMBL28905062 0.83 SLC9A1 (0.41) CDK4CCND1SLC9A1
SCHEMBL11719143 0.81 SLC9A1 (0.43) CDK4CCND1SLC9A1
SCHEMBL8699910 0.81 SLC9A1 (0.43) CDK4CCND1SLC9A1
SCHEMBL11903850 0.81 CDK4 (0.40) CDK4CCND1
SCHEMBL2784532 0.81 SLC9A1 (0.40) CDK4CCND1SLC9A1TDP1
SCHEMBL2836181 0.81 CAMK2D (0.38) CDK4CCND1
SCHEMBL7093719 0.81 CNR1 (0.38) CDK4CCND1
SCHEMBL5540504 0.80 SIGMAR1 (0.42) TSHRTDP1
SCHEMBL5535293 0.79 SIGMAR1 (0.45) TDP1

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-1044214-A1 METHOD FOR BINDING ALBUMIN AND MEANS TO BE USED IN THE METHOD Amersham Pharmacia Biotech AB (SE) 2000-10-18 EP disclosed
US-5994507-A CONTACTING AQUEOUS LIQUID CONTAINING ALBUMIN WITH A COMPOUND CONTAINING THE SCAFFOLD--C(=O)-NH-C(=C-)-C(=O)- AND HAVING BEEN PRE-CHECKED TO BIND TO THE ALBUMIN; FOR REMOVAL OF ALBUMIN FROM A SOLUTION OR FOR PURIFICATION OF ALBUMIN AMERSHAM PHARMACIA BIOTECH AB (SE) 1999-11-30 US disclosed
WO-1999033860-A1 METHOD FOR BINDING ALBUMIN AND MEANS TO BE USED IN THE METHOD AMERSHAM PHARMACIA BIOTECH AB (SE) 1999-07-08 WO disclosed