SCHEMBL6939620

SCHEMBL6939620

C=CCc1c(O)ccc(C(=O)CCC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SRD5A1 P18405 1/20 0.39
PTPN1 P18031 2/20 0.39
DHODH Q02127 1/20 0.39
HSD17B3 P37058 1/20 0.38
MTNR1A P48039 1/20 0.38
TYR P14679 2/20 0.36
CYP19A1 P11511 1/20 0.36
GAA P10253 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
SCHEMBL6938329 0.91 HTT (0.46) HPGDHTTMEN1LMNAMAPT
SCHEMBL6936437 0.88 HPGD (0.48) HPGDHTTMEN1LMNAMAPT
SCHEMBL7044950 0.81 HPGD (0.49) HPGDHTTMEN1LMNAMAPT
SCHEMBL9303754 0.81 ALDH1A1 (0.48) HPGDHTTMEN1LMNAMAPT
SCHEMBL31657717 0.81 ALDH1A1 (0.48) HPGDHTTMEN1LMNAMAPT
SCHEMBL2925754 0.79 SELL (0.52) HPGDHTTMEN1LMNAMAPT
SCHEMBL8957203 0.78 ALDH1A1 (0.44) HPGDHTTMEN1LMNAMAPT
SCHEMBL8957163 0.78 SRD5A1 (0.43) HPGDHTTMEN1LMNAMAPT
SCHEMBL3961509 0.77 CA12 (0.47) HPGDHTTMEN1LMNAMAPT
SCHEMBL63797 0.77 ALDH1A1 (0.55) HPGDHTTMEN1MAPTKMT2A

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
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed