SCHEMBL9345320

SCHEMBL9345320

CCN(CC)c1ccc(C(O)(C(=O)O)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NOX1 Q9Y5S8 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 4/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 6/20 0.46
ALDH3A1 P30838 1/20 0.46
ALDH1A3 P47895 1/20 0.46
CNR2 P34972 2/20 0.45
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
TSHR P16473 3/20 0.45
AOC3 Q16853 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PSMD14 O00487 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL8958343 0.84 NR1H2 (0.51) POLBGAAALDH1A1CNR2NR1H2
SCHEMBL8958293 0.82 NR1H2 (0.46) NPC1RAB9ACNR2NR1H2NR1H3
SCHEMBL8958217 0.82 NR1H2 (0.46) NPC1RAB9ACNR2NR1H2NR1H3
SCHEMBL10471625 0.81 MEN1 (0.49) MEN1KMT2ANOX1NPC1RAB9A
SCHEMBL10473985 0.80 MEN1 (0.47) MEN1KMT2ANOX1NPC1RAB9A
SCHEMBL12374438 0.78 SLC2A1 (0.58) MEN1KMT2ANOX1NPC1RAB9A
SCHEMBL10473739 0.77 MEN1 (0.45) MEN1KMT2ANOX1NPC1RAB9A
SCHEMBL11197834 0.77 MAPT (0.50) MEN1KMT2ANOX1NPC1RAB9A
SCHEMBL15984367 0.76 ALDH1A1 (0.50) MEN1KMT2ANOX1NPC1RAB9A
SCHEMBL593400 0.76 NR1H2 (0.54) MEN1KMT2ANOX1NPC1RAB9A

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-0605404-A2 Polycyclic dyes ZENECA LIMITED (GB) 1994-07-06 EP disclosed
US-5212313-A For polyester IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-18 US disclosed
US-5183888-A Reacting a phenyl tartronic acid with a dihydrobenzofuran, oxidizing, to get dihydrobenzodifuran IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-02 US disclosed
US-5084580-A Aniline dyes for polyester fabrics to give green and blue color IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-28 US disclosed
EP-0363034-A2 Polycyclic dyes ZENECA LIMITED (GB) 1990-04-11 EP disclosed