SCHEMBL7655082

SCHEMBL7655082

O=C(OOC(=O)c1ccccc1I)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.49
CES2 O00748 1/20 0.49
KMT2A Q03164 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 3/20 0.46
ALOX5 P09917 1/20 0.46
POLB P06746 2/20 0.45
MAPK1 P28482 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL8385756 0.88 SMN1; SMN2 (0.49) CES1CES2KMT2ANPC1RAB9A
SCHEMBL8385754 0.84 SMN1; SMN2 (0.46) KMT2ANPC1RAB9AMEN1ALOX5
SCHEMBL3152071 0.84 ALDH1A1 (0.53) CES1CES2KMT2ANPC1RAB9A
SCHEMBL27499697 0.82 CES1 (0.70) CES1CES2KMT2ANPC1RAB9A
SCHEMBL1436249 0.82 CES1 (0.65) CES1CES2KMT2AMEN1POLB
SCHEMBL10890782 0.79 KCNMA1 (0.41) CES2KMT2AMEN1POLBMAPK1
SCHEMBL7651758 0.79 PTPN2 (0.55) KMT2ANPC1MEN1POLBTDP1
Benzoyl Peroxide SCHEMBL28549174 0.77 LMNA (0.65) CES1CES2KMT2ANPC1RAB9A
SCHEMBL7655066 0.73 SNCA (0.58) CES1CES2KMT2AMEN1ALOX5
SCHEMBL7655057 0.73 SNCA (0.58) CES1CES2KMT2AMEN1ALOX5

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
US-6491903-B1 NARROW MOLECULAR WEIGHT DISTRIBUTION SHELL-CORE POLYMERS HAVING HYDROPHILIC, CROSSLINKED PERMEABLE SHELLS AND HYDROPHOBIC CORES, USED FOR REDUCING BLOOD CHOLESTEROL AND BILE ACID UPTAKE IN INTERSTINES; DRUG DELIVERY WASHINGTON UNIVERSITY 2002-12-10 US disclosed
US-6383500-B1 Particles comprising amphiphilic copolymers, having a crosslinked shell domain and an interior core domain, useful for pharmaceutical and other applications WASHINGTON UNIVERSITY 2002-05-07 US 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
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