SCHEMBL7325206

SCHEMBL7325206

CCOC(=O)CCC1=C(C)C(=O)C(C)=C(C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.51
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
CYP1A2 P05177 1/20 0.41
GAA P10253 3/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TRPA1 O75762 1/20 0.38
MAPT P10636 1/20 0.37
CYP4Z1 Q86W10 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
ALOX15 P16050 1/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL7321462 0.86 CYP4F2 (0.47) PTPN1CYP4F2CYP4A11CYP1A2GAA
SCHEMBL7327811 0.83 TSHR (0.44) PTPN1ALDH1A1LMNAHSD17B10MAPT
SCHEMBL16267759 0.81 ALOX15 (0.55) PTPN1CYP4F2CYP4A11CYP1A2GAA
SCHEMBL5731374 0.77 CYP4F2 (0.47) PTPN1CYP4F2CYP4A11GAAALDH1A1
SCHEMBL7322408 0.76 NPSR1 (0.42) PTPN1ALDH1A1ALOX15
SCHEMBL7325105 0.74 MAPT (0.60) PTPN1CYP4F2CYP4A11CYP1A2ALDH1A1
SCHEMBL8125088 0.72 ALOX15 (0.41) PTPN1ALDH1A1LMNAMAPTALOX15
SCHEMBL7329653 0.72 TDP1 (0.66) CYP4F2CYP4A11CYP1A2ALDH1A1LMNA
SCHEMBL23640239 0.71 MAPT (0.42) PTPN1ALDH1A1LMNAMAPTALOX15
Succinic Acid Diethyl Ester SCHEMBL22780 0.70 GAA (0.67) CYP4F2CYP4A11CYP1A2GAAMGAM

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