SCHEMBL8633248

SCHEMBL8633248

CCCCC1CC(=O)OC1=O.CCCCCCCCC1CC(=O)OC1=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
TSHR P16473 1/20 0.60
CYP1A2 P05177 3/20 0.45
PPARG P37231 2/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRKCA P17252 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX1 P07099 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
SCHEMBL351953 0.98 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2PPARGHTT
SCHEMBL9234966 0.98 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2PPARGHTT
SCHEMBL11046181 0.98 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2PPARGHTT
SCHEMBL1094586 0.98 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2PPARGHTT
SCHEMBL4612541 0.98 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2PPARGHTT
SCHEMBL1331348 0.98 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2PPARGHTT
SCHEMBL284377 0.98 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2PPARGHTT
SCHEMBL21722823 0.98 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2PPARGHTT
SCHEMBL21722512 0.98 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2PPARGHTT
SCHEMBL8529727 0.98 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2PPARGHTT

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-0854177-A1 Ink compositions XEROX CORPORATION (US) 1998-07-22 EP disclosed