SCHEMBL4438089

SCHEMBL4438089

COc1ccc(COC(=O)C(O[C]=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 2/20 0.50
HTR2A P28223 1/20 0.48
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
MAOB P27338 1/20 0.44
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP19A1 P11511 2/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
ATM Q13315 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
SCHEMBL7278760 1.00 GAA (0.53) GAAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL10569475 0.88 MAPT (0.45) ALDH1A1KMT2AHTR2AHTTMAPT
SCHEMBL3861174 0.86 IDO1 (0.43) ALDH1A1KMT2AHTR2AHTTMAPT
SCHEMBL7294874 0.86 IDO1 (0.43) ALDH1A1KMT2AHTR2AHTTMAPT
SCHEMBL8716890 0.86 RAB9A (0.47) ALDH1A1HTTMAPTRAB9AATM
SCHEMBL5481199 0.86 RAB9A (0.49) KMT2AHTR2AHTTMAPTRAB9A
SCHEMBL6285272 0.83 CNR2 (0.50) ALDH1A1KMT2AMEN1ATM
SCHEMBL5484162 0.83 ALDH1A1 (0.49) GAAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL7216770 0.83 FFAR1 (0.53) GAAALDH1A1MAPK1KMT2AHTT
SCHEMBL5183992 0.83 ATM (0.55) GAAALDH1A1KMT2AMAPTRAB9A

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-2114437-A2 MODIFIED CORTICOTROPIN RELEASING FACTOR PEPTIDES AND USES THEREOF ConjuChem Biotechnologies Inc. (CA) 2009-11-11 EP disclosed
WO-2008047241-A2 MODIFIED CORTICOTROPIN RELEASING FACTOR PEPTIDES AND USES THEREOF CONJUCHEM BIOTECHNOLOGIES INC. (US) 2008-04-24 WO disclosed
US-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 US disclosed