SCHEMBL11326445

SCHEMBL11326445

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
KDM4E B2RXH2 1/20 0.43
APP P05067 4/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
BCHE P06276 5/20 0.42
ACHE P22303 4/20 0.42
TDP1 Q9NUW8 1/20 0.41
HDAC3 O15379 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4914532 0.86 TSHR (0.46) EGFRKDM4EAPPTSHRALDH1A1
Styrene SCHEMBL491216 0.86 TSHR (0.48) KDM4ETSHRALDH1A1LMNATDP1
Styrene SCHEMBL10533310 0.85 TSHR (0.45) KDM4ETSHRALDH1A1LMNATDP1
SCHEMBL11065389 0.84 KDM4E (0.47) EGFRKDM4EAPPTSHRALDH1A1
Styrene SCHEMBL9718413 0.84 HCAR2 (0.48) EGFRKDM4EAPPTSHRALDH1A1
SCHEMBL7717061 0.83 KDM4E (0.46) EGFRKDM4ETSHRALDH1A1LMNA
Styrene SCHEMBL7213574 0.82 TSHR (0.50) KDM4EAPPTSHRALDH1A1LMNA
SCHEMBL6765656 0.82 KDM4E (0.43) EGFRKDM4EAPPTSHRALDH1A1
SCHEMBL10901969 0.82 TSHR (0.52) EGFRKDM4EAPPTSHRALDH1A1
SCHEMBL668688 0.82 TSHR (0.52) EGFRKDM4EAPPTSHRALDH1A1

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-4265946-A Process for forming a subbing layer on a plastic support FUJI PHOTO FILM CO., LTD. (JP) 1981-05-05 US disclosed