SCHEMBL7094145

SCHEMBL7094145

CCCCCCCC(Cc1ccc(O)cc1)[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.47
SLC6A2 P23975 3/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47
HTR2C P28335 1/20 0.47
HSPE1 P61604 1/20 0.47
HIF1A Q16665 1/20 0.47
TST Q16762 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL7605614 1.00 ESR1 (0.47) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL27686381 0.85 MGLL (0.36) ESR1SLC6A2ALDH1A1ESR2CNR1
SCHEMBL27439459 0.85 TRPV1 (0.40) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL28051901 0.80 TAAR1 (0.43) ESR1SLC6A2ESR2CNR1TAAR1
SCHEMBL985173 0.76 ESR1 (0.58) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL984627 0.76 ESR1 (0.58) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL982671 0.76 ESR1 (0.58) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL983353 0.76 ESR1 (0.58) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL983856 0.76 ESR1 (0.58) ESR1SLC6A2ADRA2AADORA3TACR2
SCHEMBL27791868 0.76 ESR1 (0.58) ESR1SLC6A2ADRA2AADORA3TACR2

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-20030061910-A1 Processes for the recovery of copper from aqueous solutions containing nitrate ions COGNIS IP MANAGEMENT GMBH (DE) 2003-04-03 US disclosed