SCHEMBL4532767

SCHEMBL4532767

CCC(Cc1cccc(Oc2ccccc2N)c1)Cc1cccc(Oc2ccccc2N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
GAA P10253 2/20 0.55
RCE1 Q9Y256 1/20 0.46
TAAR1 Q96RJ0 2/20 0.42
TLR4 O00206 1/20 0.39
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ADRA2B P18089 1/20 0.36

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
SCHEMBL4531281 0.84 GAA (0.46) ALDH1A1GAARCE1TLR4L3MBTL1
SCHEMBL5205314 0.79 GAA (0.60) ALDH1A1GAARCE1TLR4CYP1A2
SCHEMBL13452511 0.77 GAA (0.58) ALDH1A1GAARCE1TLR4CYP1A2
SCHEMBL1482831 0.77 ALDH1A1 (0.58) ALDH1A1GAARCE1TLR4L3MBTL1
SCHEMBL1049509 0.76 ALDH1A1 (0.75) ALDH1A1GAARCE1TLR4L3MBTL1
SCHEMBL6323002 0.75 TAAR1 (0.46) ALDH1A1GAARCE1TAAR1L3MBTL1
SCHEMBL4532903 0.74 ALDH1A1 (0.46) ALDH1A1GAARCE1MMEACE
Ammonia Solution, Strong SCHEMBL10884991 0.74 ALDH1A1 (0.72) ALDH1A1GAARCE1TLR4L3MBTL1
SCHEMBL6290404 0.74 ALDH1A1 (0.72) ALDH1A1GAARCE1TLR4L3MBTL1
SCHEMBL6289782 0.74 ALDH1A1 (0.72) ALDH1A1GAARCE1TLR4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035541-A1 Metal laminate, method for manufacturing same and use thereof MITSUI CHEMICALS, INC. (JP) 2009-02-05 US disclosed