SCHEMBL5080966

SCHEMBL5080966

C=C(Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-])C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.47
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAOB P27338 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL1628292 0.87 ALDH1A1 (0.55) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL4388496 0.84 GPR35 (0.53) GPR35ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL11026430 0.83 GPR35 (0.43) GPR35ALDH1A1TSHRL3MBTL1MEN1
Hydrochloric Acid SCHEMBL20702222 0.83 GPR35 (0.51) GPR35ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL9000301 0.80 GPR35 (0.51) GPR35ALDH1A1TSHRL3MBTL1MEN1
Silver SCHEMBL886996 0.80 GPR35 (0.51) GPR35ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL20971657 0.80 GPR35 (0.51) GPR35ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL1628402 0.78 ALDH1A1 (0.50) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL6543923 0.76 PDGFRB (0.50) GPR35ALDH1A1TSHRL3MBTL1MEN1
SCHEMBL27369509 0.75 ALDH1A1 (0.59) ALDH1A1L3MBTL1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771521-A4 ENVIRONMENT -FRIENDLY POLLUTION-PROOF AGENT EXTRACTED FROM SARGASSUM UNIV SOONCHUNHYANG IND ACAD COOP FOUND (KR) 2008-02-20 EP disclosed
EP-1771521-A1 ENVIRONMENT -FRIENDLY POLLUTION-PROOF AGENT EXTRACTED FROM SARGASSUM Shin, Hyun Woung (KR) 2007-04-11 EP disclosed
EP-1765937-A1 ENVIRONMENT- FRIENDLY POLLUTION- PROOF AGENT Shin, Hyun Woung (KR) 2007-03-28 EP disclosed
WO-2005123850-A1 ENVIRONMENT- FRIENDLY POLLUTION- PROOF AGENT SHIN HYUN WOUNG (KR) 2005-12-29 WO disclosed
WO-2005123851-A1 ENVIRONMENT -FRIENDLY POLLUTION-PROOF AGENT EXTRACTED FROM SARGASSUM SHIN HYUN WOUNG (KR) 2005-12-29 WO disclosed