SCHEMBL7704718

SCHEMBL7704718

CCCC(CCCCOOC(C)(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.53
AKR1A1 P14550 1/20 0.53
CHRM3 P20309 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
ADRA1A P35348 1/20 0.53
HRH1 P35367 1/20 0.53
DRD3 P35462 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CA2 P00918 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIK1 P39086 3/20 0.40
GRIK2 Q13002 3/20 0.40
SLC1A2 P43004 3/20 0.40

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
SCHEMBL536692 0.85 CA2 (0.53) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15776206 0.83 CHRM1 (0.57) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6763270 0.81 CA2 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4348774 0.81 CA2 (0.46) HDAC1HDAC2TDP1CA2MAPK1
SCHEMBL5515553 0.79 CHRM1 (0.61) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3209475 0.78 SLC1A2 (0.36) CA2MAPK1MEN1GAAKMT2A
SCHEMBL27901183 0.78 CHRM1 (0.80) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL21628138 0.78 CHRM1 (0.80) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7137108 0.78 MEN1 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27993411 0.77 CA2 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350512-B1 POLYOLEFIN TAPE FROM SHEETS SENTINEL PRODUCTS CORP. 2002-02-26 US disclosed
EP-0906179-A4 POLYMER BLEND SENTINEL PRODUCTS CORP (US) 1999-08-25 EP disclosed
EP-0906179-A1 POLYMER BLEND Sentinel Products Corp. (US) 1999-04-07 EP disclosed
WO-1997048538-A1 POLYMER BLEND SENTINEL PRODUCTS CORP. (US) 1997-12-24 WO disclosed