SCHEMBL6681680

SCHEMBL6681680

Cc1cc(C)c(N2[C]N(C3CCCCC3)C=C2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
EBP Q15125 1/20 0.32
DHCR7 Q9UBM7 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PSMB5 P28074 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL16341301 1.00 ALDH1A1 (0.35) ALDH1A1MEN1TSHRKMT2ATAS1R3
SCHEMBL34511 0.75 SELL (0.36) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL34606 0.71 ALDH1A1 (0.31) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL19316156 0.69 EBP (0.37) ALDH1A1MEN1TSHRKMT2ATAS1R3
SCHEMBL18658488 0.69 EBP (0.37) ALDH1A1MEN1TSHRKMT2ATAS1R3
SCHEMBL19316186 0.69 EBP (0.37) ALDH1A1MEN1TSHRKMT2ATAS1R3
SCHEMBL1243406 0.69 ALDH1A1 (0.35) ALDH1A1MEN1TSHRKMT2ATAS1R3
SCHEMBL6680158 0.69 HRH3 (0.32) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL920181 0.67 TAS1R3 (0.35) ALDH1A1MEN1TSHRKMT2ATAS1R3
SCHEMBL21417972 0.67 EBP (0.35) ALDH1A1MEN1TSHRKMT2ATAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093475-B1 CATALYST FOR THE POLYMERISATION OF OLEFINS BOREALIS TECH OY (FI) 2004-11-17 EP disclosed
US-6613851-B1 Cyclic carbene- eta -ligand complexes for catalysis of olefin polymerization. BOREALIS TECHNOLOGY OY (FI) 2003-09-02 US disclosed
EP-1093475-A1 CATALYST FOR THE POLYMERISATION OF OLEFINS Borealis Technology Oy (FI) 2001-04-25 EP disclosed
WO-2000001739-A1 CATALYST FOR THE POLYMERISATION OF OLEFINS BOREALIS TECHNOLOGY OY (FI) 2000-01-13 WO disclosed