SCHEMBL8683153

SCHEMBL8683153

COc1cc(C2OOCCOO2)c(Br)c(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
MYB P10242 1/20 0.36
PTAFR P25105 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ATM Q13315 1/20 0.35
PTPN1 P18031 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6070144 0.84 EGFR (0.40) EGFRMYBPTAFRALDH1A1TSHR
SCHEMBL8683023 0.83 ACHE (0.37) PTAFRALDH1A1TSHRPPARGNCOA2
SCHEMBL8688180 0.74 TUBB4A (0.38) PTAFRALDH1A1TSHRSMN1; SMN2PTPN1
SCHEMBL8688191 0.71 CA2 (0.31) PTPN1
SCHEMBL27841070 0.68 TUBB4A (0.38) MYBALDH1A1SMN1; SMN2PTPN1MAPT
SCHEMBL8685234 0.68
SCHEMBL28870388 0.66 CA2 (0.67) ALDH1A1TSHRPPARGNCOA2NCOA1
SCHEMBL677634 0.64 ACHE (0.50) ALDH1A1TSHRPPARGNCOA2NCOA1
SCHEMBL27596919 0.64 KDM4E (0.39) MYBALDH1A1TSHRPPARGNCOA2
SCHEMBL24140811 0.64 KMT2A (0.45) ALDH1A1SMN1; SMN2MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731455-A ALKYL 2-ALKYLACYLACRYLATE CHEMICAL INTERMEDIATE; ANTICHOLESTEROL AGENTS SHIONOGI & CO., LTD. (JP) 1998-03-24 US disclosed
EP-0597107-B1 LIGNAN ANALOG, PRODUCTION THEREOF, AND HYPOLIPIDEMIC DRUG SHIONOGI & CO (JP) 1996-07-03 EP disclosed
US-5502216-A ANTICHOLESTEROL SHIONOGI & CO., LTD. (JP) 1996-03-26 US disclosed
EP-0701991-A1 Process for the preparation of lignin analogues and starting materials therefor SHIONOGI & CO., LTD. (JP) 1996-03-20 EP disclosed
US-5449814-A Dehydration; Michael condensation SHIONOGI & CO., LTD. (JP) 1995-09-12 US disclosed
US-5420333-A Hydroxy ketone compounds SHIONOGI & CO., LTD. (JP) 1995-05-30 US disclosed
EP-0597107-A1 LIGNAN ANALOG, PRODUCTION THEREOF, AND HYPOLIPIDEMIC DRUG SHIONOGI & CO., LTD. (JP) 1994-05-18 EP disclosed