SCHEMBL11219604

SCHEMBL11219604

Cc1c(OCC2CO2)cccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
GLA P06280 1/20 0.55
TSHR P16473 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
RECQL P46063 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
HIF1A Q16665 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL3808783 0.85 NPC1 (0.60) ALDH1A1GLASMN1; SMN2TDP1RECQL
SCHEMBL4211458 0.85 NPC1 (0.60) ALDH1A1GLASMN1; SMN2TDP1RECQL
SCHEMBL4211452 0.85 NPC1 (0.60) ALDH1A1GLASMN1; SMN2TDP1RECQL
SCHEMBL7265401 0.84 ALDH1A1 (0.49) ALDH1A1GLATSHRSMN1; SMN2TDP1
SCHEMBL6307735 0.83 ALDH1A1 (0.48) ALDH1A1GLATSHRSMN1; SMN2TDP1
SCHEMBL6308633 0.83 ALDH1A1 (0.48) ALDH1A1GLATSHRSMN1; SMN2TDP1
SCHEMBL6308635 0.83 ALDH1A1 (0.48) ALDH1A1GLATSHRSMN1; SMN2TDP1
SCHEMBL732840 0.82 ALDH1A1 (0.73) ALDH1A1GLATSHRSMN1; SMN2TDP1
SCHEMBL9699360 0.81 ALDH1A1 (0.49) ALDH1A1GLATSHRSMN1; SMN2TDP1
SCHEMBL11238023 0.81 ALDH1A1 (0.46) ALDH1A1GLATSHRSMN1; SMN2TDP1

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
JP-57067558-A None JP disclosed
JP-57082389-A None JP disclosed
JP-S5782389-A PREPARATION OF OXAZOLIDINONE DERIVATIVE PAAMAKEMU ASIA:KK 1982-05-22 JP disclosed
JP-S5767558-A PRODUCTION OF INDOLE DERIVATIVE PAAMAKEMU ASIA:KK 1982-04-24 JP disclosed