SCHEMBL7061665

SCHEMBL7061665

CCN(CC)CCSc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 1/20 0.56
MAPT P10636 2/20 0.47
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM4 P08173 1/20 0.46
CHRM3 P20309 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
FDPS P14324 1/20 0.43
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
Hydrochloric Acid SCHEMBL11535429 0.98 SLC2A1 (0.55) SLC2A1ALDH1A1MAPK1MAPTCHRM2
SCHEMBL10702065 0.83 ALDH1A1 (0.42) SLC2A1ALDH1A1MAPK1MAPTCHRM2
SCHEMBL10409380 0.82 SLC2A1 (0.47) SLC2A1ALDH1A1MAPK1MAPTMEN1
SCHEMBL11353930 0.82 HPGD (0.51) SLC2A1ALDH1A1MAPTCHRM2CHRM1
SCHEMBL26618228 0.82 ALDH1A1 (0.54) SLC2A1ALDH1A1MAPK1FDPSHTR1A
SCHEMBL1735242 0.80 SLC2A1 (0.58) SLC2A1ALDH1A1MAPK1MAPTCHRM2
SCHEMBL3422695 0.80 SLC2A1 (0.58) SLC2A1ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL3838326 0.80 SLC2A1 (0.53) SLC2A1ALDH1A1MAPK1MAPTCHRM2
SCHEMBL17346391 0.79 SLC2A1 (0.53) SLC2A1ALDH1A1MAPK1CHRM2KMT2A
SCHEMBL17346285 0.79 ALDH1A1 (0.39) SLC2A1ALDH1A1MAPK1MAPTCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4134996-A METHOD FOR INHIBITING ADP-INDUCED PLATELET AGGREGATION USING PHENYLTHIOALKYLAMINES THE DOW CHEMICAL COMPANY (US) 1979-01-16 US claimed
EP-0955806-B1 BIOACTIVE COMPOUNDS US AGRICULTURE (US) 2003-05-14 EP disclosed
EP-0955806-A4 BIOACTIVE COMPOUNDS US AGRICULTURE (US) 2000-05-31 EP disclosed
EP-0955806-A1 BIOACTIVE COMPOUNDS THE UNITED STATES OF AMERICA as represented by THE SECRETARY OF AGRICULTURE (US) 1999-11-17 EP disclosed
US-5854178-A Bioactive compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1998-12-29 US disclosed
US-5710099-A AMINO ETHERS, ENHANCING PLANT GROWTH, INSECT RESISTANCE, INCREASING TAXOL CONTENT IN YEWS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1998-01-20 US disclosed
WO-1997031529-A1 BIOACTIVE COMPOUNDS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1997-09-04 WO disclosed
US-4155907-A Method for inhibiting ADP-induced platelet aggregation using phenylthioalkylamines THE DOW CHEMICAL COMPANY (US) 1979-05-22 US disclosed
US-4141983-A Method for inhibiting ADP-induced platelet aggregation using phenylthioalkylamines THE DOW CHEMICAL COMPANY (US) 1979-02-27 US disclosed
US-4134996-A METHOD FOR INHIBITING ADP-INDUCED PLATELET AGGREGATION USING PHENYLTHIOALKYLAMINES THE DOW CHEMICAL COMPANY (US) 1979-01-16 US disclosed
US-3833350-A METHOD OF INDUCING CAROTENOID ACCUMULATION IN PLANT TISSUE RHONE POULENC NEDERLANDS B.V. (NL) 1974-09-03 US disclosed