SCHEMBL9504313

SCHEMBL9504313

Cc1c(OCC2CCCCC2)cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
CYP19A1 P11511 2/20 0.47
TLR4 O00206 1/20 0.45
TLR2 O60603 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
MCHR1 Q99705 2/20 0.43
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 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
SCHEMBL1340780 0.84 NPC1 (0.60) TDP1CYP19A1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL11219604 0.80 ALDH1A1 (0.55) TDP1KMT2AL3MBTL1SMN1; SMN2TSHR
SCHEMBL29938739 0.80 CYP19A1 (0.50) TDP1CYP19A1TLR4TLR2L3MBTL1
SCHEMBL3803035 0.78 NPC1 (0.64) TDP1KMT2AL3MBTL1SMN1; SMN2MAPT
SCHEMBL2413642 0.77 NPC1 (0.41) CYP19A1TLR4TLR2KMT2ASMN1; SMN2
SCHEMBL10502417 0.77 RECQL (0.46) TDP1CYP19A1TLR4TLR2KMT2A
SCHEMBL12261485 0.77 CYP19A1 (0.50) TDP1CYP19A1TLR4TLR2KMT2A
SCHEMBL1341199 0.77 ALDH1A1 (0.51) CYP19A1KMT2AL3MBTL1SMN1; SMN2TSHR
SCHEMBL30072726 0.76 TDP1 (0.60) TDP1KMT2AL3MBTL1SMN1; SMN2TSHR
SCHEMBL1141627 0.76 TDP1 (0.60) TDP1KMT2AL3MBTL1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279096-B1 BENZYL ETHER COMPOUND AND PROCESS FOR PRODUCING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-07-07 EP claimed