SCHEMBL6906374

SCHEMBL6906374

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.33
LMNA P02545 1/20 0.33
MME P08473 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2D6 P10635 2/20 0.31
CACNA1F O60840 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA2B P18089 1/20 0.31
CHRM3 P20309 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
OPRK1 P41145 1/20 0.31
CACNA1D Q01668 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 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
SCHEMBL335854 0.86 LMNA (0.42) LMNAMMEHRH1TRPA1
SCHEMBL336626 0.84 CYP2D6 (0.40) RIPK1LMNACYP3A4CYP2C19CYP1A2
SCHEMBL6682969 0.73 KIF11 (0.42) RIPK1LMNACYP3A4CYP2C19CYP2D6
SCHEMBL28500896 0.67 LMNA (0.43) LMNAMMETRPA1
SCHEMBL29002686 0.67 TAAR1 (0.54) LMNAMMEHRH1SLC6A3SLC6A4
SCHEMBL27416933 0.67 LMNA (0.43) LMNAMMETRPA1
SCHEMBL1176305 0.67 LMNA (0.43) RIPK1LMNACYP3A4CYP2C19CYP1A2
SCHEMBL27802789 0.66 CYP2C19 (0.43) LMNACYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL27823460 0.66 KIF11 (0.38) RIPK1CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL335892 0.66 TAAR1 (0.41) RIPK1LMNACYP2D6HRH1TRPA1

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 3 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 disclosed
EP-1141049-A1 CATALYST SYSTEM FOR OLEFIN POLYMERIZATION Basell Technology Company B.V. (NL) 2001-10-10 EP disclosed
WO-2000035974-A1 CATALYST SYSTEM FOR OLEFIN POLYMERIZATION BASELL TECHNOLOGY COMPANY B.V. (NL) 2000-06-22 WO disclosed