SCHEMBL11643306

SCHEMBL11643306

CCOC(=O)C1COc2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.48
CHRNA3 P32297 4/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.43
FKBP1A P62942 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL6100768 0.83 NPC1 (0.52) MAPTSMN1; SMN2CYP4F2CYP4A11L3MBTL1
SCHEMBL6099544 0.83 NPC1 (0.52) MAPTSMN1; SMN2CYP4F2CYP4A11L3MBTL1
SCHEMBL6099549 0.83 NPC1 (0.52) MAPTSMN1; SMN2CYP4F2CYP4A11L3MBTL1
SCHEMBL20785875 0.82 MEN1 (0.53) CHRNB4CHRNA3KMT2AMEN1MAPT
SCHEMBL1519333 0.82 CYP4F2 (0.50) SMN1; SMN2CYP4F2CYP4A11L3MBTL1LMNA
SCHEMBL6098778 0.81 CYP4F2 (0.47) KMT2ACYP4F2CYP4A11L3MBTL1LMNA
SCHEMBL6098781 0.81 CYP4F2 (0.47) KMT2ACYP4F2CYP4A11L3MBTL1LMNA
SCHEMBL10511215 0.81 CYP4F2 (0.66) KMT2AMAPTSMN1; SMN2CYP4F2CYP4A11
SCHEMBL11563527 0.80 HSD17B10 (0.43) KMT2AMAPTSMN1; SMN2CYP4F2CYP4A11
SCHEMBL6745991 0.80 KMT2A (0.48) KMT2AMEN1MAPTSMN1; SMN2CYP4F2

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
US-4118507-A Benzodioxincarboxamide lipogenesis inhibitors SHELL OIL COMPANY (US) 1978-10-03 US disclosed