SCHEMBL7325010

SCHEMBL7325010

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.47
FABP4 P15090 3/20 0.47
FFAR4 Q5NUL3 1/20 0.39
FFAR1 O14842 1/20 0.39
ALDH1A1 P00352 1/20 0.38
BCL2 P10415 2/20 0.36
MCL1 Q07820 2/20 0.36
LTB4R Q15722 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35
GSTK1 Q9Y2Q3 2/20 0.34

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
SCHEMBL9066613 0.81 TBXA2R (0.65) TBXA2RFABP4ALDH1A1TSHR
SCHEMBL7324344 0.80 ALOX5 (0.32) TBXA2R
SCHEMBL8743193 0.78 TBXA2R (0.76) TBXA2RFABP4LTB4R
SCHEMBL7331003 0.74 PLA2G2A (0.49) FABP4FFAR1NPSR1
SCHEMBL7319898 0.73 F13A1 (0.47) FABP4ALDH1A1NPSR1TSHR
SCHEMBL7321876 0.73 PLA2G2A (0.51) FABP4FFAR1TSHR
SCHEMBL7330244 0.73 F13A1 (0.47) FABP4ALDH1A1NPSR1TSHR
SCHEMBL7329199 0.73 F13A1 (0.47) FABP4ALDH1A1NPSR1TSHR
SCHEMBL10769705 0.68 F13A1 (0.53) FABP4FFAR4FFAR1ALDH1A1NPSR1
SCHEMBL7626217 0.66 TBXA2R (0.43) TBXA2RFABP4ALDH1A1NPSR1TSHR

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