SCHEMBL4532903

SCHEMBL4532903

CCC(Cc1ccccc1Oc1ccccc1N)Cc1ccccc1Oc1ccccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SLC6A4 P31645 3/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
GAA P10253 2/20 0.39
RCE1 Q9Y256 1/20 0.38
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
MME P08473 1/20 0.34
ACE P12821 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
SCHEMBL4531281 0.78 GAA (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B
SCHEMBL3071329 0.77 ALDH1A1 (0.50) ALDH1A1SLC6A4SLC6A2SLC6A3CYP1A2
SCHEMBL7784137 0.77 ALDH1A1 (0.44) ALDH1A1SLC6A4SLC6A2SLC6A3CYP1A2
SCHEMBL6320317 0.76 KDM4E (0.50) ALDH1A1SLC6A4SLC6A2SLC6A3CYP1A2
Ammonia Solution, Strong SCHEMBL10454328 0.76 CYP1A2 (0.49) ALDH1A1SLC6A4SLC6A2SLC6A3CYP1A2
SCHEMBL4532767 0.74 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B
SCHEMBL30979203 0.73 KDM4E (0.65) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B
SCHEMBL29508342 0.73 KDM4E (0.65) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B
SCHEMBL81185 0.73 KDM4E (0.65) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B
SCHEMBL30475832 0.72 ALDH1A1 (0.53) ALDH1A1SLC6A4SLC6A2SLC6A3CYP1A2

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