SCHEMBL7300975

SCHEMBL7300975

COc1cc([C]=O)c(C(C)C)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
POLB P06746 1/20 0.38
GFER P55789 1/20 0.38
P2RX3 P56373 5/20 0.37
P2RX2 Q9UBL9 5/20 0.37
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL2119031 0.81 ALDH1A1 (0.43) GAAMGAMSIMGAM2POLB
SCHEMBL11509114 0.80 CYP3A4 (0.42) POLBALDH1A1CYP3A4HPGDTDP1
SCHEMBL10603589 0.80 P2RX3 (0.49) GAAMGAMSIMGAM2POLB
SCHEMBL13816288 0.78 GAA (0.50) GAAMGAMSIMGAM2POLB
SCHEMBL3471609 0.76 CYP3A4 (0.50) GAAMGAMSIMGAM2HDAC4
SCHEMBL1099288 0.76 CYP3A4 (0.50) GAAMGAMSIMGAM2HDAC4
SCHEMBL14200081 0.73 GAA (0.57) GAAMGAMSIMGAM2POLB
SCHEMBL7304520 0.73 CYP2D6 (0.42) P2RX3P2RX2CA1CA2LPAR1
SCHEMBL2953510 0.73 GAA (0.59) GAAMGAMSIMGAM2POLB
SCHEMBL6210612 0.71 ALDH1A1 (0.38) GAAALDH1A1CYP3A4HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed
US-5578623-A DRUGS FOR TREATMENT OF ARTHRITIS, PANCREATITIS, CYSTIC FIBROSIS, BRONCHITIS, RESPIRATORY DISORDERS STERLING WINTHROP INC. (US) 1996-11-26 US disclosed
US-5464852-A Used in treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5380737-A Enzyme inhibitors STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed