SCHEMBL21989952

SCHEMBL21989952

O=C(O)CC(C(=O)O)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
HIF1A Q16665 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
BLM P54132 1/20 0.37
HBB P68871 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
FOLH1 Q04609 2/20 0.34
CPA1 P15085 3/20 0.33
GABRR1 P24046 2/20 0.32
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL27481666 0.76 TET2 (0.44) CYP1A2HIF1ALMNAMEN1BLM
SCHEMBL27977161 0.75
SCHEMBL29273355 0.75
SCHEMBL27923112 0.75
SCHEMBL1008129 0.75
SCHEMBL10417522 0.74 LMNA (0.46) TDP1SMN1; SMN2TSHRCYP1A2SLC22A6
Hydrochloric Acid SCHEMBL11628885 0.73 ALDH1A1 (0.41) TDP1TSHRHIF1ALMNAMEN1
SCHEMBL9851962 0.73 CHRM1 (0.48) TDP1TSHRALDH1A1CPA1
SCHEMBL28241288 0.73 ALOX15 (0.34) SMN1; SMN2TSHRLMNAMEN1KMT2A
SCHEMBL11597290 0.73 LMNA (0.41) TDP1TSHRSLC22A6HIF1ALMNA

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-20200171214-A1 BIORESORBABLE SURFACE COATING FOR DELAYING DEGRADATION DREI LILIEN PVG GMBH & CO. KG (DE) 2020-06-04 US disclosed