SCHEMBL9754626

SCHEMBL9754626

C=C(CCC)C(=O)OCCCCCC.CC(C)(C)C=Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
EGFR P00533 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARG P37231 3/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 1/20 0.38
APP P05067 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
Styrene SCHEMBL6709068 0.87 TSHR (0.47) KDM4ETSHRALDH1A1LMNATDP1
Styrene SCHEMBL5873264 0.81 LMNA (0.41) KDM4ETSHRALDH1A1LMNATDP1
SCHEMBL9442161 0.80 TSHR (0.47) KDM4ETSHRALDH1A1LMNATDP1
SCHEMBL7242327 0.80 TSHR (0.47) KDM4ETSHRALDH1A1LMNATDP1
SCHEMBL4914532 0.79 TSHR (0.46) KDM4ETSHRALDH1A1LMNATDP1
Styrene SCHEMBL491216 0.78 TSHR (0.48) KDM4ETSHRALDH1A1LMNATDP1
Acrylic Acid SCHEMBL4579173 0.78 KDM4E (0.43) KDM4ETSHRALDH1A1LMNATDP1
Acrylic Acid SCHEMBL15795553 0.77 TSHR (0.56) TSHRALDH1A1CYP3A4
SCHEMBL11065389 0.77 KDM4E (0.47) KDM4ETSHRALDH1A1LMNATDP1
SCHEMBL11326445 0.77 EGFR (0.45) KDM4ETSHRALDH1A1LMNATDP1

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
WO-1991015187-A1 HAIR STYLING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1991-10-17 WO disclosed