SCHEMBL5476175

SCHEMBL5476175

CCC(C[Al](CC(CC)C(C)(CC)c1ccccc1)CC(CC)C(C)(CC)c1ccccc1)C(C)(CC)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
KIF11 P52732 2/20 0.35
ESR1 P03372 1/20 0.33
KCNN4 O15554 1/20 0.33
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
GRIN1 Q05586 4/20 0.31
GRIN2A Q12879 4/20 0.31
GRIN2D O15399 3/20 0.31
GRIN2C Q14957 3/20 0.31
GRIN2B Q13224 2/20 0.31
MEN1 O00255 1/20 0.31
TTR P02766 1/20 0.31
KMT2A Q03164 1/20 0.31
RIPK1 Q13546 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL9064416 0.87 TAAR1 (0.40) TAAR1KIF11ESR1KCNN4MAPK1
SCHEMBL6552914 0.72 KCNN4 (0.40) TAAR1KIF11KCNN4MAPK1GRIN1
SCHEMBL11741048 0.72 CYP2C19 (0.42) TAAR1ESR1KCNN4MAPK1CYP2C19
SCHEMBL20411135 0.71 TAAR1 (0.40) TAAR1KIF11ESR1KCNN4MAPK1
SCHEMBL8677180 0.71 CYP2C19 (0.41) TAAR1KIF11ESR1KCNN4MAPK1
SCHEMBL28312127 0.71 GRIN1 (0.42) TAAR1ESR1KCNN4MAPK1CYP2C19
SCHEMBL10325656 0.70 LMNA (0.41) TAAR1ESR1KCNN4MAPK1CYP2C19
SCHEMBL26003240 0.70 TAAR1 (0.41) TAAR1KIF11KCNN4
SCHEMBL20859677 0.69 TAAR1 (0.39) TAAR1KIF11ESR1KCNN4MAPK1
SCHEMBL4454908 0.69 GRIN1 (0.43) TAAR1KIF11KCNN4MAPK1GRIN1

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-20070004814-A1 Process for preparing porous polymers and polymers thereof BASELL POLYOLEFINE GMBH (DE) 2007-01-04 US disclosed