SCHEMBL4228150

SCHEMBL4228150

C=CCC1=CC(OC)[CH]C(OC)=C1O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX5 P09917 1/20 0.33
AR P10275 1/20 0.33
PTGS1 P23219 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31

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
SCHEMBL8097908 0.68 ALDH1A1 (0.35) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL11428754 0.58 KMT2A (0.35) ALDH1A1CYP3A4PTGS1TP53ALOX15
SCHEMBL27050205 0.58 ALDH1A1 (0.35) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL4232029 0.56 ALDH1A1 (0.33) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL14070585 0.56 ALDH1A1 (0.36) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL10427944 0.53 CYP3A4 (0.47) ALDH1A1CYP3A4ALOX5ARPTGS1
Methoxyeugenol SCHEMBL293977 0.53 TNKS (0.73) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL24242246 0.52 CYP3A4 (0.46) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL13387030 0.52 HMGCR (0.56) ALDH1A1CYP3A4ALOX5ARPTGS1
SCHEMBL28318476 0.52 ALDH1A1 (0.59) ALDH1A1CYP3A4ALOX5ARPTGS1

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 14 patents. 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 disclosed
EP-0991615-A1 PRO-FRAGRANCE LINEAR ACETALS AND KETALS THE PROCTER & GAMBLE COMPANY (US) 2000-04-12 EP disclosed
EP-0991635-A1 PRO-FRAGRANCE CYCLIC ACETALS THE PROCTER & GAMBLE COMPANY (US) 2000-04-12 EP disclosed
EP-0977830-A1 ORTHOCARBONATE PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 2000-02-09 EP disclosed
EP-0977549-A1 PERFUMES HAVING ODOR LONGEVITY BENEFITS THE PROCTER & GAMBLE COMPANY (US) 2000-02-09 EP disclosed
EP-0977548-A1 FRAGRANCE PRO-ACCORDS THE PROCTER & GAMBLE COMPANY (US) 2000-02-09 EP 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-1999000347-A1 PRO-FRAGRANCE LINEAR ACETALS AND KETALS THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 WO disclosed
WO-1999000377-A1 PRO-FRAGRANCE CYCLIC ACETALS THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 WO disclosed
WO-1998047478-A1 PERFUMES HAVING ODOR LONGEVITY BENEFITS 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-1998047995-A1 ORTHOCARBONATE PRO-FRAGRANCES 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-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