SCHEMBL9751189

SCHEMBL9751189

CCOC(=O)c1c(O)cc(C)cc1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.78
NR1H3 Q13133 1/20 0.78
CA12 O43570 6/20 0.68
CA1 P00915 6/20 0.68
CA2 P00918 6/20 0.68
CA7 P43166 6/20 0.68
CA9 Q16790 6/20 0.68
CA14 Q9ULX7 6/20 0.68
CYP3A4 P08684 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
ATM Q13315 1/20 0.60
HPGD P15428 2/20 0.59
KDM4E B2RXH2 1/20 0.59
USP2 O75604 1/20 0.51
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL12552740 0.90 CYP3A4 (0.74) NR1H2NR1H3CA12CA1CA2
SCHEMBL11207308 0.88 NR1H2 (1.00) NR1H2NR1H3CA12CA1CA2
SCHEMBL20378742 0.86 NR1H2 (0.75) NR1H2NR1H3CA12CA1CA2
SCHEMBL12552819 0.84 NR1H2 (0.57) NR1H2NR1H3CA12CA1CA2
SCHEMBL11315535 0.83 NR1H2 (0.71) NR1H2NR1H3CA12CA1CA2
SCHEMBL5788019 0.81 CA12 (1.00) NR1H2NR1H3CA12CA1CA2
SCHEMBL571273 0.81 CYP3A4 (0.61) NR1H2NR1H3CA12CA1CA2
SCHEMBL31643756 0.80 NR1H2 (0.67) NR1H2NR1H3CA12CA1CA2
SCHEMBL28519674 0.80 NR1H2 (0.66) NR1H2NR1H3CA12CA1CA2
SCHEMBL7601281 0.80 NR1H2 (0.51) NR1H2NR1H3CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0401215-A4 HYDROPHILIC CARBOXY POLYURETHANES 1991-01-09 EP disclosed
EP-0401215-A1 HYDROPHILIC CARBOXY POLYURETHANES TYNDALE PLAINS-HUNTER, LTD. (US) 1990-12-12 EP disclosed
WO-1989007619-A1 HYDROPHILIC CARBOXY POLYURETHANES TYNDALE PLAINS-HUNTER, LTD. (US) 1989-08-24 WO disclosed
US-4743673-A MEDICAL EQUIPMENT, DRUG DELIVERY, ANTIFRICTION TYNDALE PLAINS-HUNTER, LTD. (US) 1988-05-10 US disclosed