SCHEMBL2809634

SCHEMBL2809634

C=C(CC(=O)OCCC(C)O)C(=O)OCCC(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.37
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
TSHR P16473 3/20 0.32
ALDH1A1 P00352 1/20 0.32
ACHE P22303 1/20 0.32
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32
ALOX15 P16050 1/20 0.31
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30

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
SCHEMBL12502138 0.87 CYP19A1 (0.45) CYP19A1TSHRALDH1A1ACHECHRNB2
SCHEMBL2809637 0.86 ALOX15 (0.33) CYP19A1TSHRALDH1A1CHRNB2CHRNA4
SCHEMBL27516786 0.86 TET2 (0.34) CYP19A1ALDH1A1CHRNB2CHRNA4ALOX15
SCHEMBL9064550 0.85
SCHEMBL23926234 0.82 MGAM (0.44) CYP19A1MAPTBLMALDH1A1ACHE
SCHEMBL27756760 0.81 THRB (0.36) CYP19A1MAPTTSHRALDH1A1ACHE
SCHEMBL12502152 0.81 CYP19A1 (0.36) CYP19A1BLMTSHRACHEAPEX1
SCHEMBL11646251 0.80 CYP19A1 (0.31) CYP19A1
SCHEMBL2019215 0.80 TSHR (0.33) CYP19A1TSHRCHRNB2CHRNA4ALOX15
SCHEMBL2025630 0.80 TSHR (0.33) CYP19A1TSHRALDH1A1CHRNB2CHRNA4

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-20100240824-A1 POWDER COATING SUSPENSIONS (POWDER SLURRIES) AND POWDER COATING MATERIALS, THEIR PREPARATION AND USE BASF COATINGS AG (DE) 2010-09-23 US claimed