SCHEMBL6909255

SCHEMBL6909255

C=CCC=C(C)C(=O)OCCOC(=O)C(C)=CC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
TSHR P16473 4/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL3105371 0.91 TSHR (0.42) TSHRALDH1A1
SCHEMBL10764193 0.85 TSHR (0.38) THRBTSHRALDH1A1HSD17B10CYP2D6
SCHEMBL7758552 0.85 TSHR (0.44) THRBTSHRCYP2D6CYP2C19
SCHEMBL7758545 0.85 TSHR (0.44) THRBTSHRCYP2D6CYP2C19
SCHEMBL8817639 0.85
SCHEMBL4391883 0.84 THRB (0.33) THRBTSHRALDH1A1CYP2D6CYP2C19
SCHEMBL13732030 0.83 MGAM (0.35) THRB
SCHEMBL8971295 0.82 TSHR (0.50) TSHRALDH1A1CYP2D6CYP2C19
Ethylene SCHEMBL6419932 0.82 THRB (0.43) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL9701287 0.82 LPAR3 (0.40) THRB

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-20040039090-A1 Flame-resistant molding compositions BAYER AKTIENGESELLSCHAFT (DE) 2004-02-26 US disclosed