SCHEMBL6905050

SCHEMBL6905050

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.47
HKDC1 Q2TB90 1/20 0.38
LMNA P02545 2/20 0.37
CCR5 P51681 1/20 0.36
TRPA1 O75762 1/20 0.34
PKM P14618 1/20 0.33
AOC3 Q16853 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNA3 P22001 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL335664 0.87 TAAR1 (0.59) TAAR1HKDC1LMNAPKMAOC3
SCHEMBL336023 0.87 LMNA (0.46) TAAR1HKDC1LMNACCR5TRPA1
SCHEMBL6908377 0.87 TAAR1 (0.44) TAAR1HKDC1LMNAPKMAOC3
SCHEMBL598978 0.75 TAAR1 (0.64) TAAR1HKDC1LMNATRPA1PKM
SCHEMBL6911303 0.74 CCR5 (0.36) TAAR1HKDC1LMNACCR5TRPA1
SCHEMBL169508 0.72 LMNA (0.56) TAAR1HKDC1LMNACCR5TRPA1
SCHEMBL335792 0.72 AOC3 (0.42) TAAR1LMNACCR5AOC3
SCHEMBL29576488 0.70 BCHE (0.36)
Ammonia Solution, Strong SCHEMBL1640901 0.70 LMNA (0.54) TAAR1HKDC1LMNACCR5TRPA1
Methylamine SCHEMBL27931105 0.68 LMNA (0.52) TAAR1LMNACCR5AOC3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1141049-B1 CATALYST SYSTEM FOR OLEFIN POLYMERIZATION BASELL POLYOLEFINE GMBH (DE) 2004-06-09 EP claimed
EP-1141049-B1 CATALYST SYSTEM FOR OLEFIN POLYMERIZATION BASELL POLYOLEFINE GMBH (DE) 2004-06-09 EP disclosed