SCHEMBL6989528

SCHEMBL6989528

O=C(O)NC(=O)c1ccco1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.59
LMNA P02545 2/20 0.58
POLB P06746 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ALOX12 P18054 1/20 0.57
ALDH1A1 P00352 3/20 0.56
NPC1 O15118 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
TP53 P04637 2/20 0.55
MAPT P10636 2/20 0.55
CCR6 P51684 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PTPN1 P18031 2/20 0.55
PKM P14618 1/20 0.55
PTPN2 P17706 1/20 0.55
PTPN6 P29350 1/20 0.55

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
SCHEMBL8702006 0.89 CES2 (0.62) RAB9ASMN1; SMN2LMNAPOLBALOX15
SCHEMBL11514343 0.84 RAB9A (0.58) RAB9ASMN1; SMN2LMNAALOX12ALDH1A1
SCHEMBL29060776 0.82 SMN1; SMN2 (0.74) RAB9ASMN1; SMN2LMNAALOX12ALDH1A1
SCHEMBL11525034 0.82 ALDH1A1 (0.55) RAB9ASMN1; SMN2LMNAPOLBALOX15
SCHEMBL27339507 0.82 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2LMNAPOLBALOX15
SCHEMBL3040275 0.82 RAB9A (0.59) RAB9ASMN1; SMN2LMNAPOLBALOX15
SCHEMBL27996731 0.82 SMN1; SMN2 (0.73) RAB9ASMN1; SMN2LMNAPOLBALOX15
SCHEMBL3715660 0.79 CA2 (0.53) RAB9ASMN1; SMN2LMNAPOLBALOX15
SCHEMBL29073999 0.79 CA2 (0.53) RAB9ASMN1; SMN2LMNAPOLBALOX15
SCHEMBL11512371 0.79 ALDH1A1 (0.53) RAB9ASMN1; SMN2LMNAPOLBALOX15

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