SCHEMBL8021760

SCHEMBL8021760

COC(OC)OCC=C(C)CCC=C(C)C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.58
FNTB P49356 4/20 0.58
ALOX15 P16050 3/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 2/20 0.47
UGT1A1 P22309 1/20 0.47
SQLE Q14534 2/20 0.46
KDM4E B2RXH2 2/20 0.45
PGGT1B P53609 2/20 0.44
GGPS1 O95749 1/20 0.43

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
SCHEMBL8021754 1.00 FNTA (0.58) FNTAFNTBALOX15ALDH1A1KMT2A
SCHEMBL3155455 0.90 FNTA (0.64) FNTAFNTBALOX15ALDH1A1KMT2A
SCHEMBL16074982 0.81 FNTA (0.62) FNTAFNTBALOX15ALDH1A1KMT2A
SCHEMBL3155461 0.81 FNTA (0.62) FNTAFNTBALOX15ALDH1A1KMT2A
SCHEMBL3155467 0.81 FNTA (0.62) FNTAFNTBALOX15ALDH1A1KMT2A
SCHEMBL16902066 0.81 FNTA (0.62) FNTAFNTBALOX15ALDH1A1KMT2A
SCHEMBL14548111 0.80 FNTA (0.57) FNTAFNTBALOX15ALDH1A1KMT2A
SCHEMBL1292975 0.79 FNTA (0.60) FNTAFNTBALOX15ALDH1A1KMT2A
SCHEMBL17913920 0.79 FNTA (0.65) FNTAFNTBALOX15ALDH1A1KMT2A
SCHEMBL8671533 0.79 FNTA (0.60) FNTAFNTBALOX15ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977549-A1 PERFUMES HAVING ODOR LONGEVITY BENEFITS THE PROCTER & GAMBLE COMPANY (US) 2000-02-09 EP disclosed
US-6013618-A ORTHOESTERS, KETALS, ACETALS, ORTHOCARBONATES WHICH RELEASE TWO OR MORE FRAGRANCE RAW MATERIALS UPON HYDROLYSIS PROCTER & GAMBLE COMPANY (US) 2000-01-11 US disclosed
US-5919752-A ORTHOESTERS, KETALS, ACETALS, ORTHOCARBONATES WHICH RELEASE TWO OR MORE FRAGRANCE RAW MATERIALS UPON HYDROLYSIS. PROCTER & GAMBLE (US) 1999-07-06 US disclosed
WO-1998047478-A1 PERFUMES HAVING ODOR LONGEVITY BENEFITS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed