SCHEMBL31189367

SCHEMBL31189367

CC(C)(C)c1cccc(OOC=O)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 4/20 0.36
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
GALR3 O60755 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
TP53 P04637 1/20 0.31
CA2 P00918 1/20 0.31
GAA P10253 1/20 0.30
GFER P55789 1/20 0.30
PRMT1 Q99873 1/20 0.30
ATM Q13315 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
SCHEMBL22108 0.77 TDP1 (0.39) ALDH1A1TDP1TSHRNPSR1HTT
SCHEMBL10979000 0.71 TSHR (0.58) ALDH1A1TDP1TSHRNPSR1HTT
SCHEMBL2884800 0.71 TDP1 (0.67) ALDH1A1TDP1TSHRHTTMEN1
SCHEMBL16959731 0.69 TDP1 (0.44) ALDH1A1TDP1TSHRNPSR1HTT
SCHEMBL14200086 0.69 ALDH1A1 (0.44) ALDH1A1TDP1TSHRHTTMEN1
SCHEMBL16956765 0.69 ALDH1A1 (0.40) ALDH1A1TDP1TSHRNPSR1HTT
SCHEMBL2876966 0.69 ALDH1A1 (0.40) ALDH1A1TDP1TSHRNPSR1HTT
SCHEMBL6003012 0.68 TDP1 (0.36) ALDH1A1TDP1TSHRNPSR1HTT
SCHEMBL23249415 0.67 TDP1 (0.49) ALDH1A1TDP1HTTMEN1KMT2A
SCHEMBL29863717 0.67 TDP1 (0.49) ALDH1A1TDP1HTTMEN1KMT2A

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-20240360303-A1 Method of Preparing Modified Propylene-Based Polymer and Modified Propylene-Based Polymer Prepared Thereby SK INNOVATION CO., LTD. (KR) 2024-10-31 US disclosed