SCHEMBL9656391

SCHEMBL9656391

CCOc1cc(OC(=O)OC(C)C)c2ccccc2c1OC(=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
GLA P06280 1/20 0.40
HTT P42858 2/20 0.40
SLC2A1 P11166 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 4/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 1/20 0.36
IDO1 P14902 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 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
SCHEMBL9654675 0.86 TDP1 (0.39) HTTTDP1TSHRCYP3A4KDM4E
SCHEMBL9657924 0.85 HTT (0.42) GLAHTTTSHRKDM4EKMT2A
SCHEMBL23271841 0.84 HTT (0.41) L3MBTL1GLAHTTSLC2A1TDP1
SCHEMBL30003359 0.84 HTT (0.41) L3MBTL1GLAHTTSLC2A1TDP1
SCHEMBL9659440 0.83 SLC2A1 (0.46) L3MBTL1GLAHTTSLC2A1TSHR
SCHEMBL9656659 0.83 TDP1 (0.40) L3MBTL1GLASLC2A1TDP1TSHR
SCHEMBL9656999 0.83 TSHR (0.41) L3MBTL1GLAHTTSLC2A1TSHR
SCHEMBL9660454 0.82 SLC2A1 (0.49) L3MBTL1GLAHTTSLC2A1TSHR
SCHEMBL9657686 0.82 HTT (0.40) L3MBTL1GLAHTTSLC2A1TSHR
SCHEMBL9658296 0.82 HTT (0.40) L3MBTL1HTTTSHRKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134161-A Enzyme inhibitors for skin disorders, antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-07-28 US disclosed
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed