SCHEMBL21026408

SCHEMBL21026408

CCCCCCCCCCCCCCCC1=C(C)C(=O)C(OC)=C(C)C1=O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.84
TDP1 Q9NUW8 2/20 0.84
ALDH1A1 P00352 1/20 0.84
THRB P10828 1/20 0.84
LMNA P02545 1/20 0.61
PGR P06401 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
MAOA P21397 1/20 0.61
TBXA2R P21731 1/20 0.61
MAPK1 P28482 1/20 0.61
AVPR2 P30518 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTR2B P41595 1/20 0.61
HTT P42858 1/20 0.61
PDE3A Q14432 1/20 0.61
SIRT2 Q8IXJ6 1/20 0.61
SLC29A1 Q99808 1/20 0.61
ALOX5 P09917 17/20 0.56

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
Decylubiquinone SCHEMBL2459726 0.91 MAPT (1.00) MAPTTDP1ALDH1A1THRBLMNA
SCHEMBL6575584 0.91 MAPT (1.00) MAPTTDP1ALDH1A1THRBLMNA
SCHEMBL11868264 0.91 MAPT (1.00) MAPTTDP1ALDH1A1THRBLMNA
SCHEMBL6575386 0.91 MAPT (1.00) MAPTTDP1ALDH1A1THRBLMNA
SCHEMBL6917350 0.91 MAPT (1.00) MAPTTDP1ALDH1A1THRBLMNA
SCHEMBL11853848 0.91 MAPT (1.00) MAPTTDP1ALDH1A1THRBLMNA
SCHEMBL16464673 0.90 MAPT (0.78) MAPTTDP1ALDH1A1THRBLMNA
SCHEMBL16465116 0.90 MAPT (0.78) MAPTTDP1ALDH1A1THRBLMNA
SCHEMBL11857681 0.89 MAPT (0.96) MAPTTDP1ALDH1A1THRBLMNA
SCHEMBL26039603 0.88 MAPT (0.81) MAPTTDP1ALDH1A1THRBLMNA

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
US-20190160025-A1 AGENTS USEFUL FOR TREATING OBESITY, DIABETES AND RELATED DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-05-30 US disclosed