SCHEMBL2809637

SCHEMBL2809637

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 3/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRNB2 P17787 4/20 0.32
CHRNA4 P43681 4/20 0.32
CYP19A1 P11511 1/20 0.31
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNB4 P30926 2/20 0.30
CHRNA3 P32297 2/20 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
SCHEMBL28036316 0.87 CYP19A1 (0.38) ALOX15HSD17B10TSHRALDH1A1CHRNB2
SCHEMBL2809634 0.86 CYP19A1 (0.37) ALOX15TSHRALDH1A1CHRNB2CHRNA4
SCHEMBL9064554 0.85 ALOX15 (0.35) ALOX15HSD17B10
Propane SCHEMBL8646626 0.84 CYP19A1 (0.36) ALOX15HSD17B10TSHRALDH1A1CHRNB2
SCHEMBL5616478 0.83 ALOX15 (0.32) ALOX15HSD17B10TSHRCHRNB2CHRNA4
SCHEMBL2809912 0.81 TSHR (0.42) ALOX15HSD17B10TSHRALDH1A1
SCHEMBL27756760 0.81 THRB (0.36) ALOX15TSHRALDH1A1CHRNB2CHRNA4
SCHEMBL2019215 0.80 TSHR (0.33) ALOX15TSHRCHRNB2CHRNA4CYP19A1
SCHEMBL2025630 0.80 TSHR (0.33) ALOX15TSHRALDH1A1CHRNB2CHRNA4
SCHEMBL30369121 0.79 EGFR (0.36) ALOX15

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