SCHEMBL7576134

SCHEMBL7576134

O=C(/C=C/C(=O)OC1(c2ccccc2)CCCCO1)OC1(c2ccccc2)CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
HDAC4 P56524 2/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 5/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
PRCP P42785 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTT P42858 2/20 0.34
OPRM1 P35372 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
SCHEMBL6021972 1.00 AKR1C1 (0.41) AKR1C1SMN1; SMN2HDAC4MEN1KMT2A
SCHEMBL6777548 0.80 AKR1C1 (0.37) AKR1C1SMN1; SMN2HDAC4MEN1KMT2A
SCHEMBL7894906 0.79 AKR1C1 (0.39) AKR1C1SMN1; SMN2HDAC4MEN1KMT2A
SCHEMBL7518558 0.73 GAA (0.34) AKR1C1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11214937 0.71 RXRA (0.45) ALDH1A1TSHRPKM
SCHEMBL6918832 0.71 KMT2A (0.42) SMN1; SMN2HDAC4MEN1KMT2AALDH1A1
SCHEMBL28564028 0.70 DRD3 (0.38) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL109994 0.70 CYP1A2 (0.50) AKR1C1SMN1; SMN2HDAC4CYP1A2
SCHEMBL10848298 0.69 AKR1C1 (0.52) AKR1C1SMN1; SMN2HDAC4MEN1KMT2A
SCHEMBL23762899 0.67 AKR1C1 (0.48) AKR1C1HDAC4MEN1KMT2ANPSR1

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
EP-0876467-B1 PERFUMES FOR LAUNDRY COMPOSITIONS PROCTER & GAMBLE (US) 2002-09-18 EP disclosed
EP-1019479-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY THE PROCTER & GAMBLE COMPANY (US) 2000-07-19 EP disclosed
EP-0876467-A1 PERFUMES FOR LAUNDRY AND CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-11-11 EP disclosed
US-5721202-A Perfumes for laundry and cleaning composition THE PROCTER & GAMBLE COMPANY (US) 1998-02-24 US disclosed
WO-1997016522-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY THE PROCTER & GAMBLE COMPANY (US) 1997-05-09 WO disclosed
WO-1997016523-A1 PERFUMES FOR LAUNDRY AND CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-05-09 WO disclosed
US-5562847-A QUATERNARY AMMONIUM SOFTENING COMPOUND AND THE ESTER OF A PERFUME ALCOHOL THE PROCTER & GAMBLE COMPANY (US) 1996-10-08 US disclosed