SCHEMBL6993698

SCHEMBL6993698

COc1ccc(C(=O)NC(=O)O)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA4 P22748 1/20 0.65
CA6 P23280 1/20 0.65
CA7 P43166 1/20 0.65
TPMT P51580 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
MAPT P10636 4/20 0.62
ALOX15 P16050 1/20 0.62
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 4/20 0.60
PKM P14618 3/20 0.60

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
SCHEMBL3587188 0.86 CYP1A2 (0.61) CA12CA1CA2CA4CA6
SCHEMBL4151619 0.85 CYP1A2 (0.66) CA12CA1CA2CA4CA6
SCHEMBL12682342 0.83 MAPT (0.71) CA12CA1CA2CA4CA6
SCHEMBL13550701 0.83 CYP1A2 (0.58) CA12CA1CA2CA4CA6
SCHEMBL1436474 0.81 SMPD1 (0.66) CA12CA1CA2CA4CA6
SCHEMBL26041448 0.80 CYP1A2 (0.59) CA12CA1CA2CA4CA6
SCHEMBL2446906 0.80 CYP1A2 (0.63) CA12CA1CA2CA4CA6
Hydrochloric Acid SCHEMBL9638760 0.80 SMPD1 (0.64) CA12CA1CA2CA4CA6
SCHEMBL28961053 0.80 CYP1A2 (0.63) CA12CA1CA2CA4CA6
SCHEMBL29412632 0.80 CYP1A2 (0.63) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP claimed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US claimed
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 US disclosed
EP-0874809-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1998-11-04 EP disclosed
WO-1997025309-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-17 WO disclosed