SCHEMBL6287561

SCHEMBL6287561

CCOC(=O)C(CCCCl)(CC(C)C(=O)O)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIN1 Q13526 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.31
ATM Q13315 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
SCHEMBL722316 0.82 MEN1 (0.53) MEN1KMT2ACYP4F2CYP4A11THRB
SCHEMBL11086629 0.78 MEN1 (0.42) MEN1KMT2ACYP4F2CYP4A11THRB
SCHEMBL6081149 0.75 MEN1 (0.50) MEN1KMT2ACYP4F2CYP4A11THRB
SCHEMBL3857880 0.74 MEN1 (0.42) MEN1KMT2ACYP4F2CYP4A11THRB
SCHEMBL10873784 0.74 MEN1 (0.42) MEN1KMT2ACYP4F2CYP4A11THRB
SCHEMBL7783923 0.74 MMP8 (0.49) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL7785271 0.73 MEN1 (0.52) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL4412547 0.72 MMP8 (0.47) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL23772661 0.72 MMP8 (0.46) MMP8MEN1KMT2ACYP4F2CYP4A11
SCHEMBL7777157 0.71 MMP8 (0.46) MMP8MEN1KMT2ACYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867161-B1 Titanium catalyst and organotitanium reacting reagent, production thereof, and reaction thereby NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-15 US disclosed
EP-0820809-A1 TITANIUM CATALYST, ORGANOTITANIUM REACTION REAGENT, PROCESSES FOR PRODUCING THESE, AND METHOD OF REACTION USING THESE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-01-28 EP disclosed