SCHEMBL7331003

SCHEMBL7331003

Cc1cc(C)c(C(=O)CCCCC(=O)O)c(O)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.49
PLA2G5 P39877 2/20 0.49
FABP4 P15090 1/20 0.48
FFAR1 O14842 1/20 0.44
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NSD2 O96028 1/20 0.39
ABL1 P00519 1/20 0.39
GAA P10253 1/20 0.39
IDE P14735 1/20 0.39
RIN1 Q13671 1/20 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
SCHEMBL7329390 0.98 PLA2G2A (0.51) PLA2G2APLA2G5FABP4FFAR1HDAC3
SCHEMBL7321876 0.98 PLA2G2A (0.51) PLA2G2APLA2G5FABP4FFAR1HDAC3
SCHEMBL10058177 0.81 PLA2G2A (0.47) PLA2G2APLA2G5FFAR1HDAC8FASN
SCHEMBL7319881 0.81 PLA2G2A (0.47) PLA2G2APLA2G5FFAR1TDP1NPSR1
SCHEMBL7330714 0.80 PLA2G2A (0.50) PLA2G2APLA2G5FFAR1TDP1NPSR1
SCHEMBL7323481 0.80 PLA2G2A (0.50) PLA2G2APLA2G5FFAR1TDP1NPSR1
SCHEMBL7319898 0.78 F13A1 (0.47) FABP4NPSR1
SCHEMBL7330244 0.78 F13A1 (0.47) FABP4NPSR1
SCHEMBL7329199 0.78 F13A1 (0.47) FABP4NPSR1
SCHEMBL7323280 0.77 POLB (0.47) TDP1NPSR1FASN

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