SCHEMBL8010482

SCHEMBL8010482

c1ccc(CCOC(OCCc2ccccc2)(OCCc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
IDO1 P14902 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KIF11 P52732 1/20 0.41
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL8376179 0.79 CA1 (0.47) CA1CA2CA9IDO1RAB9A
SCHEMBL18094635 0.77 TSHR (0.50) CYP1A2CYP2C9CYP2C19CA1CA2
SCHEMBL6421037 0.77 KIF11 (0.43) CYP1A2CYP2C9CYP2C19RAB9AALDH1A1
SCHEMBL28840110 0.76 CA1 (0.44) CA1CA2CA9IDO1RAB9A
SCHEMBL3092432 0.76 CA1 (0.44) CA1CA2CA9IDO1RAB9A
SCHEMBL2590168 0.76 CA1 (0.44) CA1CA2CA9IDO1RAB9A
SCHEMBL28907861 0.74 TDP1 (0.44) CA1CA2CA9IDO1RAB9A
SCHEMBL6421194 0.72 LTA4H (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1KIF11
SCHEMBL1357307 0.72 CA1 (0.46) CA1CA2CA9IDO1RAB9A
SCHEMBL28563732 0.72 CES1 (0.42) CA1CA2CA9IDO1RAB9A

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 3 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
WO-1998047478-A1 PERFUMES HAVING ODOR LONGEVITY BENEFITS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed