SCHEMBL4903307

SCHEMBL4903307

C=COC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.60
CES1 P23141 1/20 0.60
TP53 P04637 1/20 0.58
MAPT P10636 7/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
POLB P06746 2/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
ALDH1A1 P00352 4/20 0.57
TSHR P16473 3/20 0.57
ALOX5 P09917 1/20 0.53
HTT P42858 2/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
RAB9A P51151 1/20 0.50
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL11649570 0.83 ALOX5 (0.53) CES2CES1ALOX5HTTNPC1
SCHEMBL6965282 0.82 CES2 (0.66) CES2CES1TP53MAPTMEN1
SCHEMBL4721013 0.82 CES2 (0.70) CES2CES1TP53MAPTMEN1
SCHEMBL7656493 0.82 CES2 (0.70) CES2CES1TP53MAPTMEN1
SCHEMBL156225 0.81 ATM (0.41) CES2CES1POLBALDH1A1TSHR
SCHEMBL5109110 0.81 CES2 (0.55) CES2CES1TP53MAPTMEN1
SCHEMBL4900644 0.80 CES1 (0.55) CES2CES1MAPTMEN1KMT2A
SCHEMBL828959 0.80 TSHR (0.69) CES2CES1TP53MAPTMEN1
SCHEMBL17297123 0.79 TSHR (0.67) CES2CES1TP53MAPTMEN1
SCHEMBL1572442 0.79 MEN1 (0.76) CES2CES1TP53MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
US-5294484-A Multilayer element SONY CORPORATION (JP) 1994-03-15 US disclosed