SCHEMBL4228253

SCHEMBL4228253

[CH2]C(C)C1CCCCCCCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.43
EPHX1 P07099 2/20 0.38
TP53 P04637 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP2 P08253 2/20 0.34
CA9 Q16790 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5144 1.00 SHBG (0.43) SHBGEPHX1TP53CA12CA1
SCHEMBL6161072 1.00 SHBG (0.43) SHBGEPHX1TP53CA12CA1
SCHEMBL20510547 1.00 SHBG (0.43) SHBGEPHX1TP53CA12CA1
SCHEMBL4326 1.00 SHBG (0.43) SHBGEPHX1TP53CA12CA1
SCHEMBL5277 1.00
SCHEMBL23628575 1.00
SCHEMBL5242 0.97
SCHEMBL5482 0.90
SCHEMBL5173 0.83
SCHEMBL22534005 0.83

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
EP-0977548-B2 FRAGRANCE PRO-ACCORDS PROCTER & GAMBLE (US) 2008-03-26 EP claimed
EP-0977548-B1 FRAGRANCE PRO-ACCORDS PROCTER & GAMBLE (US) 2004-08-18 EP claimed
EP-0977548-B2 FRAGRANCE PRO-ACCORDS PROCTER & GAMBLE (US) 2008-03-26 EP disclosed
EP-0977830-B1 PERSONAL CARE COMPOSITION COMPRISING ORTHOCARBONATE PRO-FRAGRANCES PROCTER & GAMBLE (US) 2005-12-28 EP disclosed
EP-0977548-B1 FRAGRANCE PRO-ACCORDS PROCTER & GAMBLE (US) 2004-08-18 EP disclosed
US-6677491-B2 FRAGRANCE DELIVERY SYSTEM FOR USE IN LAUNDRY DETERGENT COMPOSITIONS INCLUDING RINSE-ADDED AND DRYER-ADDED FABRIC CONDITIONING COMPOSITIONS WHICH PROVIDES A LONG LASTING ?FRESHNESS? OR ?CLEAN? SCENT TO FABRIC. PROCTER & GAMBLE COMPANY 2004-01-13 US disclosed
US-20030032565-A1 Pro-fragrance linear acetals and ketals SIVIK MARK ROBERT (US) 2003-02-13 US disclosed
EP-0991615-B1 PRO-FRAGRANCE LINEAR ACETALS AND KETALS PROCTER & GAMBLE (US) 2002-08-14 EP disclosed
US-6395695-B1 LAUNDRY DETERGENT THE PROCTER & GAMBLE COMPANY 2002-05-28 US disclosed
EP-0918835-B1 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE PRECURSORS PROCTER & GAMBLE (US) 2002-01-16 EP 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
EP-0918835-A1 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE PRECURSORS THE PROCTER & GAMBLE COMPANY (US) 1999-06-02 EP disclosed
WO-1999000377-A1 PRO-FRAGRANCE CYCLIC ACETALS THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 WO disclosed
WO-1999000347-A1 PRO-FRAGRANCE LINEAR ACETALS AND KETALS THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 WO disclosed
WO-1998047995-A1 ORTHOCARBONATE PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed
WO-1998047996-A1 LAUNDRY DETERGENT COMPOSITIONS COMPRISING FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed
WO-1998047477-A1 FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed
WO-1998047478-A1 PERFUMES HAVING ODOR LONGEVITY BENEFITS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed
WO-1998006803-A1 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE PRECURSORS THE PROCTER & GAMBLE COMPANY (US) 1998-02-19 WO disclosed