SCHEMBL29190026

SCHEMBL29190026

COC(=O)c1cc(C2CC2)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ESR1 P03372 1/20 0.47
ERN1 O75460 2/20 0.46
VCAM1 P19320 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 3/20 0.43
AHR P35869 1/20 0.43
TPMT P51580 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
XDH P47989 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42

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
SCHEMBL31430607 1.00 HPGD (0.48) HPGDMEN1KMT2ARXFP1ESR1
SCHEMBL5470372 0.93 HPGD (0.54) HPGDMEN1KMT2ARXFP1ESR1
SCHEMBL22689342 0.85 HPGD (0.47) HPGDMEN1KMT2AVCAM1KDM4E
SCHEMBL5924211 0.83 ESR1 (0.57) MEN1KMT2ARXFP1ESR1ERN1
SCHEMBL22696475 0.83 HPGD (0.44) HPGDMEN1KMT2AVCAM1KDM4E
Hydrochloric Acid SCHEMBL9064842 0.82 ESR1 (0.56) MEN1KMT2ARXFP1ESR1ERN1
SCHEMBL11965650 0.82 HPGD (0.58) HPGDMEN1KMT2AVCAM1MAPT
SCHEMBL28679664 0.81 HPGD (0.44) HPGDMEN1KMT2AVCAM1KDM4E
SCHEMBL14581924 0.80 HPGD (0.54) HPGDMEN1KMT2AVCAM1KDM4E
SCHEMBL643856 0.79 KDM4E (0.65) HPGDMEN1KMT2ARXFP1ERN1

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-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 CN disclosed