SCHEMBL2554604

SCHEMBL2554604

CCCC(Oc1ccc([N+](=O)[O-])cc1)c1cc(C)c(O)c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.39
ALDH1A1 P00352 3/20 0.38
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
MAPT P10636 7/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
HTT P42858 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MGLL Q99685 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HTR2A P28223 1/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL795574 0.70 ALDH1A1 (0.39) ALDH1A1BCL9CTNNB1MAPTCRHBP
SCHEMBL6391326 0.66 MAPT (0.57) ALDH1A1BCL9CTNNB1MAPTCRHBP
SCHEMBL28853177 0.66 BCL9 (0.49) ALDH1A1BCL9CTNNB1MAPTCRHBP
SCHEMBL655939 0.66 PPARG (0.57) ALDH1A1BCL9CTNNB1MAPTCRHBP
SCHEMBL667900 0.64 BCL9 (0.50) ALDH1A1BCL9CTNNB1MAPTCRHBP
SCHEMBL4747181 0.64 BCL9 (0.50) ALDH1A1BCL9CTNNB1MAPTCRHBP
SCHEMBL28755282 0.63 MGLL (0.51) ALDH1A1BCL9CTNNB1MAPTCRHBP
SCHEMBL978309 0.63 BCL9 (0.46) ALDH1A1BCL9CTNNB1MAPTCRHBP
SCHEMBL4755048 0.63 BCL9 (0.46) ALDH1A1BCL9CTNNB1MAPTCRHBP
SCHEMBL30579722 0.63 BCL9 (0.51) ALDH1A1BCL9CTNNB1MAPTCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4241758-A2 ANTI-DANDRUFF COMPOSITION L'OREAL (FR) 2023-09-13 EP disclosed
EP-2934454-A1 ANTI-DANDRUFF COMPOSITION L'Oréal (FR) 2015-10-28 EP disclosed
WO-2014095625-A1 ANTI-DANDRUFF COMPOSITION L'OREAL (FR) 2014-06-26 WO disclosed
EP-2694010-A2 A METHOD OF TREATING THE SCALP L'Oréal (FR) 2014-02-12 EP disclosed
EP-2552596-A2 AIRBRUSH L'Oréal (FR) 2013-02-06 EP disclosed
WO-2012137167-A2 A METHOD OF TREATING THE SCALP L'OREAL (FR) 2012-10-11 WO disclosed
WO-2011121551-A2 AN AIRBRUSH L'OREAL (FR) 2011-10-06 WO disclosed
EP-0422508-A2 Liquid detergent composition KAO CORPORATION (JP) 1991-04-17 EP disclosed