SCHEMBL7671005

SCHEMBL7671005

CCCOP(=O)(OCCC)P(=O)(OC)OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.39
LPAR3 Q9UBY5 3/20 0.33
TSHR P16473 3/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
FAAH O00519 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8062937 0.81 TSHR (0.48) MEN1KMT2ACYP3A4LPAR3TSHR
SCHEMBL6070732 0.78 TSHR (0.50) MEN1KMT2ATSHRTP53TDP1
SCHEMBL575318 0.76 CYP3A4 (0.52) MEN1KMT2ACYP3A4LPAR3TSHR
SCHEMBL575659 0.76 CYP3A4 (0.52) MEN1KMT2ACYP3A4LPAR3TSHR
Ammonia Solution, Strong SCHEMBL28282680 0.74 CYP3A4 (0.50) MEN1KMT2ACYP3A4LPAR3TSHR
SCHEMBL575497 0.74
SCHEMBL11830671 0.72 CYP3A4 (0.70) CYP3A4LPAR3TSHRLPAR1LPAR2
SCHEMBL10403951 0.72 CYP3A4 (0.42) MEN1KMT2ACYP3A4LPAR3TSHR
SCHEMBL23236814 0.72
SCHEMBL22361639 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444616-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-03 US claimed