SCHEMBL28091908

SCHEMBL28091908

CCCCc1ccccc1NNc1ccccc1CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
GAA P10253 5/20 0.47
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41

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
SCHEMBL9281088 0.85 GAA (0.53) POLBGAAHDAC3HDAC4HDAC1
SCHEMBL28091780 0.83 GAA (0.48) POLBGAAALDH1A1LMNAMEN1
SCHEMBL28092018 0.83 SLC16A3 (0.42) POLBGAACYP3A4CYP2D6CYP2C9
SCHEMBL14785273 0.82 CYP3A4 (0.46) POLBGAACYP3A4CYP2D6CYP2C9
SCHEMBL2019462 0.80 POLB (0.58) POLBGAAHDAC3HDAC4HDAC1
SCHEMBL4093561 0.80 CYP3A4 (0.45) POLBCYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL28210214 0.80 SIGMAR1 (0.41) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL1087070 0.79 LIPG (0.50) POLBCYP3A4CYP2D6CYP2C9LIPG
SCHEMBL29573161 0.78 POLB (0.44) POLBGAAHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL8801544 0.78 CYP3A4 (0.44) POLBCYP3A4CYP2D6CYP2C9ALDH1A1

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
CN-105985464-A Solid catalytic component for olefin polymerization and catalyst thereof 中国石油天然气股份有限公司 2016-10-05 CN claimed