SCHEMBL8749379

SCHEMBL8749379

CC(C)=CCC1OC(=O)C=C1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
TTL Q8NG68 5/20 0.44
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NFE2L2 Q16236 3/20 0.37
PTGS1 P23219 3/20 0.35
ABCB11 O95342 1/20 0.35
ALOX5 P09917 1/20 0.35
PLA2G2A P14555 2/20 0.34
PKM P14618 1/20 0.32
FNTA P49354 1/20 0.32
PGGT1B P53609 1/20 0.32

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
SCHEMBL3421025 0.72
SCHEMBL363396 0.68
SCHEMBL12833406 0.64 LMNA (0.53) LMNAGAAALDH1A1KDM4E
SCHEMBL16115775 0.62 PLA2G2A (0.34) PRKCAPLA2G2A
SCHEMBL11058706 0.61 ALDH1A1 (0.33) LMNAALDH1A1PTGS1ABCB11PKM
SCHEMBL3941679 0.61 NFE2L2 (0.37) LMNANFE2L2PTGS1ABCB11FNTA
SCHEMBL12038673 0.61
SCHEMBL12038676 0.61
SCHEMBL979584 0.61
SCHEMBL4574515 0.61 NFE2L2 (0.46) PRKCALMNAALDH1A1NFE2L2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627288-A Method for producing rosefuran precursor and intermediates therefor TOYOTAMA PERFUMERY CO., LTD. (JP) 1997-05-06 US claimed
EP-0761637-A1 Method for producing rosefuran precursor and intermediates therefor TOYOTAMA PERFUMERY CO., LTD (JP) 1997-03-12 EP claimed
US-5627288-A Method for producing rosefuran precursor and intermediates therefor TOYOTAMA PERFUMERY CO., LTD. (JP) 1997-05-06 US disclosed
US-5627288-A Method for producing rosefuran precursor and intermediates therefor TOYOTAMA PERFUMERY CO., LTD. (JP) 1997-05-06 US disclosed
EP-0761637-A1 Method for producing rosefuran precursor and intermediates therefor TOYOTAMA PERFUMERY CO., LTD (JP) 1997-03-12 EP disclosed
EP-0761637-A1 Method for producing rosefuran precursor and intermediates therefor TOYOTAMA PERFUMERY CO., LTD (JP) 1997-03-12 EP disclosed