SCHEMBL7329653

SCHEMBL7329653

CCOC(=O)CCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.66
MAPT P10636 2/20 0.66
ALDH1A1 P00352 1/20 0.66
THRB P10828 1/20 0.66
LMNA P02545 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
PGR P06401 1/20 0.64
MAOA P21397 1/20 0.64
TBXA2R P21731 1/20 0.64
MAPK1 P28482 1/20 0.64
AVPR2 P30518 1/20 0.64
HTR2B P41595 1/20 0.64
HTT P42858 1/20 0.64
PDE3A Q14432 1/20 0.64
SIRT2 Q8IXJ6 1/20 0.64
SLC29A1 Q99808 1/20 0.64
TRAP1 Q12931 1/20 0.50

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
SCHEMBL7325105 0.94 MAPT (0.60) TDP1MAPTALDH1A1THRBLMNA
SCHEMBL971323 0.89 ALDH1A1 (0.72) TDP1MAPTALDH1A1THRBLMNA
SCHEMBL7414270 0.88 LMNA (0.68) TDP1MAPTALDH1A1THRBLMNA
SCHEMBL7319590 0.88 LMNA (0.68) TDP1MAPTALDH1A1THRBLMNA
SCHEMBL7321462 0.85 CYP4F2 (0.47) TDP1MAPTALDH1A1THRBLMNA
SCHEMBL11005632 0.84 MAPT (0.69) TDP1MAPTALDH1A1THRBLMNA
SCHEMBL7321407 0.84 MAPT (0.69) TDP1MAPTALDH1A1THRBLMNA
SCHEMBL7324336 0.84 MAPT (0.69) TDP1MAPTALDH1A1THRBLMNA
SCHEMBL11005932 0.84 MAPT (0.69) TDP1MAPTALDH1A1THRBLMNA
SCHEMBL11007416 0.84 MAPT (0.69) TDP1MAPTALDH1A1THRBLMNA

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-4525361-A FOR PHYSIOLOGICAL HOST DEFENSE CONTROL ACTIVITY IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-06-25 US disclosed
US-4407757-A IMMUNOLOGY AGENT, MUSCLE RELAXANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-10-04 US disclosed
US-4271083-A IMMUNO-POTENTIATING ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-06-02 US disclosed
US-4139545-A IMMUNO-POTENTIATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-02-13 US disclosed