SCHEMBL7940744

SCHEMBL7940744

CC(C)=CCCC(C)CCOCC(=O)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
HPGD P15428 4/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PTPN1 P18031 1/20 0.41
HDAC1 Q13547 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL4405863 0.89 ALOX15 (0.43) ALOX15HPGDKDM4ESMN1; SMN2PTPN1
SCHEMBL21596570 0.89 ALOX15 (0.39) ALOX15HPGDKDM4ESMN1; SMN2HDAC1
SCHEMBL17861023 0.86 ALOX15 (0.51) ALOX15KDM4ESMN1; SMN2NFE2L2ALDH1A1
SCHEMBL17861077 0.86 ALOX15 (0.51) ALOX15KDM4ESMN1; SMN2NFE2L2ALDH1A1
SCHEMBL19680576 0.86 ALOX15 (0.51) ALOX15KDM4ESMN1; SMN2NFE2L2ALDH1A1
SCHEMBL7940736 0.82 ALOX15 (0.48) ALOX15HDAC1NFE2L2ALDH1A1MAPT
SCHEMBL19680580 0.82 ALOX15 (0.50) ALOX15NFE2L2ALDH1A1MAPTNPC1
SCHEMBL17861084 0.82 ALOX15 (0.50) ALOX15NFE2L2ALDH1A1MAPTNPC1
SCHEMBL17861078 0.82 ALOX15 (0.50) ALOX15NFE2L2ALDH1A1MAPTNPC1
SCHEMBL7948852 0.82 ALOX15 (0.50) ALOX15NFE2L2ALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258854-B1 KETONE ETHERS FOR ODORS GIVAUDAN ROURE ( INTERNATIONAL ) SA (CH) 2001-07-10 US disclosed
EP-0983990-A2 Ketones useful as precursors for organoleptic compounds Givaudan Roure (International) S.A. (CH) 2000-03-08 EP disclosed