SCHEMBL7330714

SCHEMBL7330714

CCOC(=O)CCCCCCCCC(=O)c1c(C)cc(C)c(C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.50
PLA2G5 P39877 2/20 0.50
NR4A1 P22736 1/20 0.49
FFAR1 O14842 1/20 0.45
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FASN P49327 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
USP2 O75604 2/20 0.40
ELANE P08246 2/20 0.39

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
SCHEMBL7323481 1.00 PLA2G2A (0.50) PLA2G2APLA2G5NR4A1FFAR1ALDH1A1
SCHEMBL7319881 0.98 PLA2G2A (0.47) PLA2G2APLA2G5NR4A1FFAR1ALDH1A1
SCHEMBL10058177 0.87 PLA2G2A (0.47) PLA2G2APLA2G5NR4A1FFAR1ALDH1A1
SCHEMBL7321876 0.81 PLA2G2A (0.51) PLA2G2APLA2G5FFAR1TSHRLMNA
SCHEMBL7329390 0.81 PLA2G2A (0.51) PLA2G2APLA2G5FFAR1TSHRLMNA
SCHEMBL7331003 0.80 PLA2G2A (0.49) PLA2G2APLA2G5FFAR1TDP1NPSR1
SCHEMBL1483107 0.73 CYP1A2 (0.70) ALDH1A1TDP1HSD17B10ALOX15CYP3A4
SCHEMBL495925 0.73 CYP1A2 (0.70) ALDH1A1TDP1HSD17B10ALOX15CYP3A4
SCHEMBL440349 0.73 CYP1A2 (0.70) ALDH1A1TDP1HSD17B10ALOX15CYP3A4
SCHEMBL33870 0.73 CYP1A2 (0.70) ALDH1A1TDP1HSD17B10ALOX15CYP3A4

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