SCHEMBL6570629

SCHEMBL6570629

OC(O)C(c1ccccc1)(c1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
HIF1A Q16665 1/20 0.35
RIPK1 Q13546 1/20 0.35
CYP2D6 P10635 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL4870724 0.77 CYP2D6 (0.45) LMNAMAPK1CYP2D6SRC
SCHEMBL29757327 0.74 CYP2D6 (0.45) LMNAMAPK1ALDH1A1ALOX15KDM4E
SCHEMBL28327538 0.74 ESR1 (0.50) LMNAALDH1A1TSHR
SCHEMBL1055908 0.74 CYP2D6 (0.42) LMNAMAPK1ALDH1A1KDM4EHIF1A
SCHEMBL1055907 0.74 CYP2D6 (0.42) LMNAMAPK1ALDH1A1KDM4EHIF1A
SCHEMBL1053427 0.71 KCNA5 (0.47) LMNAMAPK1ALDH1A1KDM4EL3MBTL1
SCHEMBL6602135 0.71 KCNA5 (0.39) LMNAMAPK1ALDH1A1TSHRCYP2D6
SCHEMBL1053425 0.71 KCNA5 (0.47) LMNAMAPK1ALDH1A1KDM4EL3MBTL1
SCHEMBL17931025 0.70 TSHR (0.39) MAPK1ALDH1A1TSHRCYP2D6SRC
SCHEMBL11741321 0.70 CYP2D6 (0.45) LMNAMAPK1ALDH1A1ALOX15KDM4E

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-0970964-B1 Method for producing a titanium complex SUMITOMO CHEMICAL CO (JP) 2004-04-21 EP disclosed
US-6090961-A Method for producing titanium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0970964-A2 Method for producing titanium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-12 EP disclosed