SCHEMBL3697491

SCHEMBL3697491

Cc1cc(C)cc(C(c2ccc(N)cc2)c2cc(C)cc(C)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
ALDH1A1 P00352 10/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 2/20 0.43
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TEAD4 Q15561 1/20 0.38
TDP1 Q9NUW8 5/20 0.37
POLB P06746 2/20 0.37
CASP1 P29466 2/20 0.36
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP3A4 P08684 3/20 0.33
TP53 P04637 2/20 0.33
MAPK1 P28482 2/20 0.33
HSP90AA1 P07900 1/20 0.33
AGTR1 P30556 1/20 0.33

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
SCHEMBL27955728 1.00 ACHE (0.48) ACHEALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL17737832 0.85 ACHE (0.68) ACHEALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL8208247 0.85 ACHE (0.68) ACHEALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL22051903 0.83 ACHE (0.48) ACHEALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL22050356 0.82 MEN1 (0.57) ACHEALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL223522 0.82 MEN1 (0.57) ACHEALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL4950926 0.82 ALDH1A1 (0.44) ACHEALDH1A1TSHRTDP1CYP3A4
SCHEMBL3694310 0.81 ALDH1A1 (0.43) ACHEALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL22050365 0.80 ACHE (0.42) ACHEALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL3696722 0.79 ESR1 (0.46) ACHEALDH1A1SMN1; SMN2MAPTMEN1

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
US-7741240-B2 Transition metal compounds for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-06-22 US claimed
EP-1753773-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-02-21 EP claimed
WO-2005118605-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2005-12-15 WO claimed