Cinoxate

Cinoxate

SCHEMBL2565739

CCOCCOC(=O)/C=C/c1ccc(OC)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACVR1ADORA1ADORA2AADORA2BADORA3ESR1ESR2FLT3GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSC1HRH1HTR7IDH1IDH2IRAK1JAK1JAK2JAK3MEN1OPRM1P2RX3PDE5ASCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASIGMAR1SLC6A2SYKTACR1TOP2ATYK2

The experimentally established mechanism targets of Cinoxate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.46
LMNA P02545 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
APP P05067 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45
GSK3B P49841 1/20 0.44
PPARA Q07869 1/20 0.44
MAOB P27338 1/20 0.43
F3 P13726 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CASP3 P42574 1/20 0.43

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
Cinoxate SCHEMBL15558 0.87 LMNA (0.67) LMNATDP1SMN1; SMN2MEN1KMT2A
Cinoxate SCHEMBL318972 0.87 LMNA (0.67) LMNATDP1SMN1; SMN2MEN1KMT2A
Cinoxate SCHEMBL6851231 0.87 LMNA (0.67) LMNATDP1SMN1; SMN2MEN1KMT2A
Cinoxate SCHEMBL1907002 0.87 LMNA (0.67) LMNATDP1SMN1; SMN2MEN1KMT2A
4-Methoxycinnamic Acid SCHEMBL28574898 0.82 THRB (0.59) LMNATDP1SMN1; SMN2MEN1KMT2A
4-Methoxycinnamic Acid SCHEMBL28574899 0.82 THRB (0.59) LMNATDP1SMN1; SMN2MEN1KMT2A
Cinoxate SCHEMBL10337529 0.82 THRB (0.59) LMNATDP1SMN1; SMN2MEN1KMT2A
Cinoxate SCHEMBL30139914 0.78 LMNA (0.53) LMNATDP1SMN1; SMN2MEN1KMT2A
SCHEMBL28533768 0.77 MAOB (0.56) LMNATDP1SMN1; SMN2KMT2ANPC1
SCHEMBL28533767 0.77 MAOB (0.56) LMNATDP1SMN1; SMN2KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9724544-B2 Vitamin D promoting sunscreen Armstrong, Ernest T. (US) 2017-08-08 US disclosed
EP-2384193-A2 VITAMIN D PROMOTING SUNSCREEN Armstrong, Ernest T. (US) 2011-11-09 EP disclosed
US-20110268678-A1 VITAMIN D FORMING SUNSCREEN ARMSTRONG ERNEST T 2011-11-03 US disclosed
WO-2010076731-A2 VITAMIN D PROMOTING SUNSCREEN ARMSTRONG ERNEST T (US) 2010-07-08 WO disclosed