SCHEMBL28092018

SCHEMBL28092018

CCCCc1ccccc1NNc1ccc(CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.42
GAA P10253 2/20 0.38
CXCR4 P61073 1/20 0.37
POLB P06746 3/20 0.37
LMNA P02545 1/20 0.37
RPS6KA2 Q15349 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
LIPG Q9Y5X9 1/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 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
SCHEMBL28091780 0.88 GAA (0.48) GAAPOLBLMNATRPV1NPC1
SCHEMBL28091782 0.85 GAA (0.46) GAACXCR4POLBLMNARPS6KA2
SCHEMBL28210214 0.84 SIGMAR1 (0.41) GAARAB9AMAPTHPGDMEN1
SCHEMBL28091908 0.83 POLB (0.50) SLC16A3GAAPOLBLMNACYP3A4
SCHEMBL10875767 0.79 HPGD (0.50) POLBLMNANPC1RAB9AHPGD
SCHEMBL14321012 0.76 CYP3A4 (0.42) GAAPOLBLMNACYP3A4CYP2D6
SCHEMBL14785273 0.74 CYP3A4 (0.46) GAAPOLBCYP3A4CYP2D6CYP2C9
SCHEMBL25872373 0.73 TP53 (0.59) GAACXCR4POLBLMNARPS6KA2
SCHEMBL8186595 0.73 LMNA (0.52) GAALMNACYP3A4CYP2D6TRPV1
SCHEMBL3145602 0.72 CYP3A4 (0.40) GAAPOLBCYP3A4CYP2D6CYP2C9

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