SCHEMBL28989647

SCHEMBL28989647

CCCOC(=O)C=Cc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 7/20 0.64
▸ ALOX5 P09917 2/20 0.52
▸ EGFR P00533 2/20 0.51
▸ ERBB2 P04626 2/20 0.51
▸ TTR P02766 3/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ ALOX12 P18054 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ AKR1B10 O60218 1/20 0.49
▸ GMNN O75496 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ LCK P06239 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ MAPT P10636 1/20 0.49

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
SCHEMBL28989637 0.96 APP (0.66) APPALOX5EGFRERBB2TTR
SCHEMBL4624105 0.88 APP (0.67) APPEGFRERBB2AKR1B10LMNA
SCHEMBL4624106 0.88 APP (0.67) APPEGFRERBB2AKR1B10LMNA
SCHEMBL31408755 0.84 TTR (0.64) APPALOX5EGFRERBB2TTR
SCHEMBL4866988 0.84 TTR (0.64) APPALOX5EGFRERBB2TTR
SCHEMBL6552271 0.84 TTR (0.64) APPALOX5EGFRERBB2TTR
SCHEMBL2906674 0.84 TTR (0.64) APPALOX5EGFRERBB2TTR
SCHEMBL28989627 0.83 APP (0.57) APPALOX5TTRCYP3A4AKR1B10
SCHEMBL5593815 0.81 KDM4E (0.61) APPTTRKDM4EALDH1A1MAPT
SCHEMBL14619003 0.81 KDM4E (0.61) APPTTRKDM4EALDH1A1MAPT

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
CN-115989251-A Composition comprising an additive having polycyclic aromatic groups 伊英克公司 2023-04-18 — — CN disclosed
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