SCHEMBL6993793

SCHEMBL6993793

O=C(O)NC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
TP53 P04637 1/20 0.60
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
SRD5A2 P31213 4/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
TYR P14679 1/20 0.50
DRD1 P21728 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
MITF O75030 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL31433394 0.92 ALDH1A1 (0.50) TSHRTP53ALDH1A1SMN1; SMN2CA1
SCHEMBL6999658 0.83 MPO (0.58) ALDH1A1SRD5A2CA1CA2CA12
SCHEMBL13572118 0.83 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2SRD5A2RAB9AKMT2A
SCHEMBL1005988 0.82 ALDH1A1 (0.61) TP53ALDH1A1SMN1; SMN2CA1CA12
SCHEMBL6994749 0.81 LMNA (0.57) TSHRALDH1A1SMN1; SMN2CA1CA2
Terephthalic Acid SCHEMBL1065024 0.81 TSHR (0.92) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL1204011 0.81 TSHR (0.92) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Hydrochloric Acid SCHEMBL9950494 0.80 ALDH1A1 (0.59) TP53ALDH1A1CA1CA12CA9
SCHEMBL479724 0.80 HDAC2 (0.67) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
SCHEMBL11705058 0.79 TSHR (0.67) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2

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