SCHEMBL8558154

SCHEMBL8558154

CCC(Oc1ccc2c(c1[N+](=O)[O-])C(=O)CC2)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
PPARA Q07869 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPD P32754 3/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PPARG P37231 1/20 0.31
XDH P47989 1/20 0.30

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
SCHEMBL8558148 1.00 SMN1; SMN2 (0.39) SMN1; SMN2PPARAPTGDR2MEN1KMT2A
SCHEMBL8558240 0.81 SMN1; SMN2 (0.42) SMN1; SMN2PPARAPTGDR2MEN1KMT2A
SCHEMBL4688521 0.77 KDM4E (0.49) MEN1KMT2AHPGDKDM4EPOLB
SCHEMBL4688573 0.77 PTGDR2 (0.42) SMN1; SMN2PTGDR2MEN1KMT2APOLB
SCHEMBL6998270 0.74 MEN1 (0.43) MEN1KMT2ANPC1HPGDRAB9A
SCHEMBL8113280 0.69 MEN1 (0.37) MEN1KMT2AHPGDKDM4EHPD
SCHEMBL7508888 0.69 ALDH1A1 (0.51) SMN1; SMN2MEN1KMT2ANPC1HPGD
SCHEMBL12992926 0.69 ALDH1A1 (0.42) MEN1KMT2AHPGDKDM4EPOLB
SCHEMBL7713466 0.69 MEN1 (0.40) PPARAMEN1KMT2AHPGDKDM4E
SCHEMBL7704925 0.69 MEN1 (0.40) PPARAMEN1KMT2ANPC1RAB9A

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-0885210-A1 Tricylic compounds having binding affinity for melatonin receptors, their production and use Takeda Chemical Industries, Ltd. (JP) 1998-12-23 EP disclosed
WO-1997032871-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-12 WO disclosed