SCHEMBL7971265

SCHEMBL7971265

COC1=C(OC)C(=O)C2=C(CC(CCCCCCCC(=O)O)(C(=O)O)C2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
APEX1 P27695 3/20 0.35
IMPDH1 P20839 2/20 0.34
TSHR P16473 5/20 0.33
LMNA P02545 1/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
SCD O00767 1/20 0.33
GPR84 Q9NQS5 7/20 0.33
PPARG P37231 6/20 0.33
PPARD Q03181 6/20 0.33
PPARA Q07869 6/20 0.33
HDAC11 Q96DB2 5/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 0.33
PTPN1 P18031 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL7961051 0.86 ALDH1A1 (0.37) ALDH1A1APEX1IMPDH1LMNAMEN1
SCHEMBL7971104 0.81 APEX1 (0.36) APEX1LMNATDP1PDE3A
SCHEMBL7974408 0.79 EPHX2 (0.39) ALDH1A1LMNAHDAC11FABP4MEN1
SCHEMBL7974482 0.77 ALDH1A1 (0.39) ALDH1A1IMPDH1TSHRLMNANFKB1
SCHEMBL7974475 0.73 CYP4F2 (0.43) APEX1LMNATDP1PDE3A
SCHEMBL7974447 0.72 CYP4F2 (0.43) ALDH1A1LMNATDP1MEN1KMT2A
SCHEMBL5070469 0.72 HDAC3 (0.46) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL1100247 0.71 LMNA (0.41) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL250989 0.69 TSHR (0.52) ALDH1A1TSHRLMNANFKB1PMP22
SCHEMBL250466 0.69 TSHR (0.52) ALDH1A1TSHRLMNANFKB1PMP22

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed