SCHEMBL9628205

SCHEMBL9628205

CCOc1cc(OC(=O)C(C)(C=O)C=O)c2ccccc2c1OCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.46
TSHR P16473 3/20 0.40
HTT P42858 2/20 0.39
GLA P06280 2/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.36
IDO1 P14902 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP1B1 Q16678 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL9629403 0.88 SLC2A1 (0.45) SLC2A1TSHRHTTGLANPC1
SCHEMBL9627373 0.83 ELANE (0.44) SLC2A1TSHRHTTGLAL3MBTL1
SCHEMBL9627470 0.81 HTT (0.59) SLC2A1TSHRHTTGLANPC1
SCHEMBL9659886 0.81 SLC2A1 (0.44) SLC2A1TSHRHTTGLANPC1
SCHEMBL9627455 0.80 SLC2A1 (0.47) SLC2A1TSHRHTTGLANPC1
SCHEMBL9660009 0.80 SLC2A1 (0.46) SLC2A1TSHRHTTGLAMAPT
SCHEMBL9660454 0.79 SLC2A1 (0.49) SLC2A1TSHRHTTGLAL3MBTL1
SCHEMBL9658065 0.79 SLC2A1 (0.46) SLC2A1TSHRHTTGLANPC1
SCHEMBL9629350 0.79 SLC2A1 (0.42) SLC2A1TSHRHTTGLAL3MBTL1
SCHEMBL9658058 0.77 ALDH1A1 (0.49) SLC2A1TSHRHTTGLAL3MBTL1

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-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed