SCHEMBL8678528

SCHEMBL8678528

C=C(C(=C)c1ccccc1)c1ccccc1.O=C(N[Ti]1(C2c3ccccc3-c3ccccc32)CC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.37
TDP2 O95551 2/20 0.36
KDM4E B2RXH2 1/20 0.36
APAF1 O14727 1/20 0.36
NSD2 O96028 1/20 0.36
ABL1 P00519 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
CASP3 P42574 1/20 0.36
GALK1 P51570 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL8679027 0.91 MEN1 (0.39) HTTMEN1KMT2AMAPTALDH1A1
Butadiene SCHEMBL8681354 0.89 MEN1 (0.37) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL8677963 0.87 MEN1 (0.36) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL8677079 0.83 HPGD (0.41) HTTALDH1A1LMNAGAAHDAC3
SCHEMBL8681257 0.81 MAPT (0.32) MAPTHDAC6HDAC3HDAC7HDAC8
SCHEMBL8676956 0.80 ATM (0.31) MAPTTDP1
SCHEMBL9004335 0.77 BCHE (0.43) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL8677256 0.71 ALDH1A1 (0.33) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL8678590 0.69
SCHEMBL8678235 0.69 CYP2C19 (0.41) ALDH1A1LMNAKDM4EHDAC3IDO1

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-5770538-A Group 4 metal diene complexes and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1998-06-23 US disclosed
US-5539068-A Group 4, metal-conjugated diene metallocyclopentene complexes, and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1996-07-23 US disclosed
US-5486632-A Group 4 metal diene complexes and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1996-01-23 US disclosed