SCHEMBL8561986

SCHEMBL8561986

O=C(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1.O=C(OCc1ccccc1)c1cc(C(=O)OCc2ccccc2)cc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALOX5 P09917 1/20 0.54
HTT P42858 2/20 0.53
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 1/20 0.52
LMNA P02545 1/20 0.51
PDE1C Q14123 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL5335470 0.96 KMT2A (0.60) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL12856432 0.93 ALOX5 (0.61) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL9051523 0.89 NPC1 (0.61) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL27747363 0.89 KMT2A (0.53) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL312211 0.87 KMT2A (0.72) KMT2ASLC6A2SLC6A3TDP1RAB9A
SCHEMBL9266925 0.87 KMT2A (0.72) KMT2ASLC6A2SLC6A3TDP1RAB9A
SCHEMBL2003642 0.86 KMT2A (0.53) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL417705 0.85 MAPT (0.60) KMT2ASLC6A2SLC6A3TDP1ALOX5
SCHEMBL2825416 0.84 MAPT (0.69) KMT2ASLC6A2SLC6A3TDP1HTT
SCHEMBL4626752 0.84 KMT2A (0.50) KMT2ASLC6A2SLC6A3TDP1ALOX5

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
EP-0719251-B1 BICYCLO (2.2.2) OCTANE DERIVATIVES CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTS BLACK JAMES FOUNDATION (GB) 1998-12-09 EP disclosed
US-5795907-A Gastin and CCK receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1998-08-18 US disclosed
EP-0720601-A1 GASTRIN AND CCK RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1996-07-10 EP disclosed
WO-1995004720-A2 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 1995-02-16 WO disclosed