SCHEMBL9200545

SCHEMBL9200545

C=C(C)c1noc(OC(=O)O)c1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
ALDH1A1 P00352 6/20 0.34
LMNA P02545 4/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL9203330 0.80 ALDH1A1 (0.39) PTGS1ALDH1A1LMNAPOLBNPSR1
SCHEMBL9592409 0.79 ALDH1A1 (0.48) PTGS1ALDH1A1LMNAPOLBNPSR1
SCHEMBL9199743 0.78 HTT (0.48) PTGS1ALDH1A1LMNAPOLBNPSR1
SCHEMBL9198962 0.69 HSD17B10 (0.30)
SCHEMBL9592232 0.69 ALDH1A1 (0.40) ALDH1A1LMNANPSR1HTTL3MBTL1
SCHEMBL9585593 0.63 ALDH1A1 (0.50) ALDH1A1POLBNPSR1HTT
SCHEMBL9527107 0.62 TSHR (0.48) ALDH1A1LMNAPOLBNPSR1HTT
SCHEMBL9201823 0.61 ALDH1A1 (0.37) ALDH1A1POLBHTTL3MBTL1RAB9A
SCHEMBL9198074 0.61 ALDH1A1 (0.35) ALDH1A1LMNAPOLBHTTL3MBTL1
SCHEMBL9199739 0.60 HTT (0.50) PTGS1ALDH1A1LMNAPOLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0656004-A1 DUAL FUNCTIONAL ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE AGENTS CYTOMED, INC. (US) 1995-06-07 EP disclosed
WO-1994004537-A2 DUAL FUNCTIONAL ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE AGENTS CYTOMED, INC. (US) 1994-03-03 WO disclosed