SCHEMBL6697100

SCHEMBL6697100

C=CCC(=CC)C(CC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL561704 0.80 ALDH1A1 (0.32) ALDH1A1TSHRTP53GRIK1GRIK2
SCHEMBL8076492 0.71
SCHEMBL8076493 0.71
Ethylmalonate SCHEMBL28635933 0.70 HDAC1 (0.41) ALDH1A1TP53MEN1KMT2ACA2
SCHEMBL1890045 0.70 TSHR (0.40) ALDH1A1TSHRCA2MAPK1CHRM1
Propene SCHEMBL7184577 0.70 GABRR1 (0.41) ALDH1A1TSHRTP53CHRM1AKR1A1
Acetic Acid SCHEMBL10786717 0.70 HDAC1 (0.39) ALDH1A1TSHRMEN1KMT2ACA2
Ethylmalonate SCHEMBL107241 0.69
SCHEMBL28386008 0.69 TP53 (0.38) ALDH1A1TSHRTP53GRIK1GRIK2
SCHEMBL10773209 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004045851-A1 BIAXIALLY STRETCHED BARRIER FILM FOR PACKAGING SUPERFILM AMBALAJ SANAYI VE TICARET A.S. (TR) 2004-06-03 WO disclosed