SCHEMBL25854286

SCHEMBL25854286

COc1ccc(CCC(C)NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MAPT P10636 2/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 4/20 0.54
GAA P10253 3/20 0.53
MEN1 O00255 4/20 0.51
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
LMNA P02545 1/20 0.47
MGLL Q99685 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RECQL P46063 1/20 0.47
HTR2A P28223 1/20 0.46
BMP1 P13497 1/20 0.46

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
SCHEMBL2773142 0.83 MGLL (0.64) KMT2AMAPTRAB9AALDH1A1GAA
SCHEMBL16562238 0.81 RAB9A (0.73) KMT2AMAPTRAB9AALDH1A1GAA
SCHEMBL3686259 0.79 ITGB3 (0.52) KMT2AMAPTRAB9AALDH1A1GAA
SCHEMBL1309025 0.79 GAA (0.50) KMT2AMAPTRAB9AALDH1A1GAA
SCHEMBL1309029 0.79 GAA (0.50) KMT2AMAPTRAB9AALDH1A1GAA
SCHEMBL3686265 0.79 ITGB3 (0.52) KMT2AMAPTRAB9AALDH1A1GAA
SCHEMBL21329860 0.78 GAA (0.66) KMT2AMAPTRAB9AALDH1A1GAA
SCHEMBL28009602 0.77 HTR1A (0.59) KMT2AMAPTRAB9AALDH1A1GAA
SCHEMBL7257343 0.77 MGLL (0.57) KMT2AMAPTRAB9AALDH1A1GAA
SCHEMBL5729901 0.76 BCL9 (0.65) KMT2AMAPTRAB9AALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4460492-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE (INSERM) Institut National de la Santé et de la Recherche Médicale (FR) 2024-11-13 EP disclosed
WO-2023131677-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-07-13 WO disclosed
WO-2023131677-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-07-13 WO disclosed