SCHEMBL29061908

SCHEMBL29061908

CC(C)(C)c1cc(CO)cc([N+](=O)[O-])c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GALR3 O60755 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GPR35 Q9HC97 4/20 0.49
ALDH1A1 P00352 6/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
BLM P54132 2/20 0.44
ATM Q13315 2/20 0.44
HIF1A Q16665 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
GMNN O75496 1/20 0.44
GABBR2 O75899 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL30792060 0.84 GPR35 (0.41) MEN1KMT2AGPR35ALDH1A1TSHR
SCHEMBL9812448 0.82 GPR35 (0.57) MEN1KMT2AGPR35ALDH1A1MAPK1
Dinoterb SCHEMBL424259 0.80 KMT2A (0.77) MEN1KMT2AHTTSMN1; SMN2GALR3
SCHEMBL12445274 0.79 ALDH1A1 (0.47) MEN1KMT2AHTTSMN1; SMN2GALR3
SCHEMBL8117922 0.79 ALDH1A1 (0.50) MEN1KMT2AHTTSMN1; SMN2GALR3
SCHEMBL42656 0.78 ALDH1A1 (0.64) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL397532 0.78 GPR35 (0.62) MEN1KMT2AHTTSMN1; SMN2GALR3
Dinoterb SCHEMBL53794 0.78 KMT2A (0.79) MEN1KMT2AHTTSMN1; SMN2GALR3
Dinoterb SCHEMBL8535102 0.78 KMT2A (0.79) MEN1KMT2AHTTSMN1; SMN2GALR3
SCHEMBL17500084 0.78 GPR35 (0.69) MEN1KMT2AHTTSMN1; SMN2GALR3

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
CN-116655585-A Poly (epsilon-caprolactone-epsilon-caprolactam) with controllable main chain sequence and preparation method and application thereof 中国科学院化学研究所 2023-08-29 CN disclosed