SCHEMBL5299658

SCHEMBL5299658

CCOC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.55
ALDH1A1 P00352 5/20 0.55
POLB P06746 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 4/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
CTSV O60911 2/20 0.54
CTSL P07711 2/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
PKM P14618 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.52
PTGER4 P35408 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50

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
SCHEMBL11091089 0.91 CTSV (0.57) ABCB1ALDH1A1POLBKDM4EMAPT
SCHEMBL751204 0.89 MAPT (0.69) ALDH1A1POLBKDM4EMAPTKMT2A
SCHEMBL751415 0.88 KMT2A (0.62) ABCB1ALDH1A1POLBMAPTKMT2A
SCHEMBL5913195 0.86 KMT2A (0.62) ALDH1A1POLBKDM4EMAPTKMT2A
SCHEMBL21775128 0.85 SMN1; SMN2 (0.65) ABCB1ALDH1A1POLBMAPTKMT2A
SCHEMBL29368594 0.85 ALDH1A1 (0.63) ABCB1ALDH1A1POLBMAPTKMT2A
SCHEMBL965943 0.85 ALDH1A1 (0.63) ABCB1ALDH1A1POLBMAPTKMT2A
SCHEMBL750245 0.85 CTSV (0.63) ABCB1POLBMAPTKMT2AMEN1
SCHEMBL2722685 0.85 MAPT (0.56) ABCB1ALDH1A1POLBMAPTKMT2A
SCHEMBL21775066 0.84 ABCB1 (0.49) ABCB1ALDH1A1POLBMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007017092-A1 SUBSTITUTED 4-BENZYLOXY-BENZOIC ACID AMIDE DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-02-15 WO disclosed
WO-2007017092-A1 SUBSTITUTED 4-BENZYLOXY-BENZOIC ACID AMIDE DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-02-15 WO disclosed