SCHEMBL10901969

SCHEMBL10901969

C=C(C=Cc1ccccc1)C(=O)OCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
EGFR P00533 1/20 0.52
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 3/20 0.48
APP P05067 4/20 0.48
BCHE P06276 3/20 0.47
ACHE P22303 2/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC3 O15379 1/20 0.46

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
SCHEMBL668688 1.00 TSHR (0.52) TSHRALDH1A1LMNAEGFRTP53
SCHEMBL7457989 1.00 TSHR (0.52) TSHRALDH1A1LMNAEGFRTP53
SCHEMBL29394 0.94 KDM4E (0.53) TSHRALDH1A1EGFRTP53CYP3A4
SCHEMBL10906572 0.91 TSHR (0.53) TSHRALDH1A1LMNAEGFRTP53
Butadiene SCHEMBL10718191 0.91 KDM4E (0.50) TSHRALDH1A1EGFRTP53CYP3A4
Maleic Acid SCHEMBL11028703 0.91 KDM4E (0.50) TSHRALDH1A1LMNAEGFRTP53
Methacrylic Acid SCHEMBL390016 0.90 KDM4E (0.49) TSHRALDH1A1EGFRCYP3A4MAPK1
Styrene SCHEMBL522764 0.90 KDM4E (0.49) TSHRALDH1A1EGFRTP53CYP3A4
Acrylic Acid SCHEMBL29184857 0.90 KDM4E (0.49) TSHRALDH1A1EGFRTP53CYP3A4
SCHEMBL27787924 0.89 POLB (0.51) ALDH1A1LMNAEGFRKDM4EAPP

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-4599294-A TONERS CANON KABUSHIKI KAISHA (JP) 1986-07-08 US disclosed