SCHEMBL6534603

SCHEMBL6534603

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
FFAR3 O14843 1/20 0.31
KDM4E B2RXH2 1/20 0.30
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL31021334 0.96 HMGCR (0.34) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL9719370 0.80
SCHEMBL14973297 0.77 KDM4E (0.45) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL24924926 0.77 TSHR (0.30) TSHR
SCHEMBL3138394 0.77 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL28151 0.77 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL14672450 0.75 TSHR (0.38) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL7766103 0.75 HMGCR (0.56) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL3993645 0.73 HMGCR (0.38) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL1818224 0.73 HMGCR (0.38) HMGCRCHRM1TBXA2RADRA1ACYP2D6

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-20040180985-A1 Tack free surface cures of polymers by organic peroxides in the presence of air ARKEMA INC. 2004-09-16 US disclosed