SCHEMBL3799151

SCHEMBL3799151

CCCCCCCCCCCCOS(=O)(=O)OCCCCCCCCCCCC.O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.56
ESR1 P03372 1/20 0.43
TSHR P16473 1/20 0.39
CYP19A1 P11511 2/20 0.38
CA1 P00915 8/20 0.38
CA2 P00918 8/20 0.38
CA9 Q16790 7/20 0.38
CA12 O43570 3/20 0.38
CA7 P43166 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
TXNRD1 Q16881 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37

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
SCHEMBL3799155 0.92 GPR35 (0.55) GPR35ESR1TSHRCYP19A1CA1
SCHEMBL9698600 0.77 MEN1 (0.47) GPR35CYP19A1MEN1LMNAMAPT
SCHEMBL9699807 0.77 ESR1 (0.48) GPR35ESR1MEN1LMNAMAPT
SCHEMBL9699124 0.77 MEN1 (0.47) GPR35CYP19A1MEN1LMNAMAPT
Ether SCHEMBL10527435 0.76 GPR35 (0.74) GPR35TSHRCA1CA2CA9
SCHEMBL10387780 0.76 ESR1 (0.50) GPR35ESR1MEN1LMNAMAPT
Nitrophenolate SCHEMBL7601509 0.75 ESR1 (0.49) GPR35ESR1TSHRLMNAKMT2A
SCHEMBL16979 0.75 GPR35 (1.00) GPR35TSHRMAPK1TDP1
SCHEMBL29516730 0.75 GPR35 (1.00) GPR35TSHRMAPK1TDP1
SCHEMBL10792789 0.74 KMT2A (0.50) ESR1TSHRCA1CA2TXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190562-A2 ENRICHED NANOSTRUCTURE COMPOSITION Do-Coop Technologies Ltd (IL) 2010-06-02 EP disclosed
WO-2009024976-A2 ENRICHED NANOSTRUCTURE COMPOSITION DO-COOP TECHNOLOGIES LTD. (IL) 2009-02-26 WO disclosed