SCHEMBL23925273

SCHEMBL23925273

CC(C)=CCC[C@H](C)CCOC=C(C)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.41
NFE2L2 Q16236 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TERT O14746 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL22443740 1.00 ALOX15 (0.41) ALOX15NFE2L2ALDH1A1TERTADRB2
SCHEMBL21596602 1.00 ALOX15 (0.41) ALOX15NFE2L2ALDH1A1TERTADRB2
SCHEMBL23244071 0.85 ALOX15 (0.47) ALOX15NFE2L2ALDH1A1KDM4E
SCHEMBL23244073 0.85 ALOX15 (0.47) ALOX15NFE2L2ALDH1A1KDM4E
SCHEMBL21596631 0.81 ALOX15 (0.43) ALOX15NFE2L2ALDH1A1
SCHEMBL21596629 0.81 ALOX15 (0.43) ALOX15NFE2L2ALDH1A1
SCHEMBL21596630 0.81 ALOX15 (0.46) ALOX15NFE2L2ALDH1A1KDM4E
SCHEMBL21596633 0.81 ALOX15 (0.46) ALOX15NFE2L2ALDH1A1KDM4E
SCHEMBL21596620 0.80 ALOX15 (0.40) ALOX15NFE2L2ALDH1A1KDM4EHPGD
SCHEMBL21596621 0.80 ALOX15 (0.40) ALOX15NFE2L2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4377301-A2 PROCESS FOR PREPARING A OXACYLOHEXANE OR OXACYLOPENTANE DERIVATIVE Firmenich SA (CH) 2024-06-05 EP disclosed
WO-2024068907-A1 LILY OF THE VALLEY ODORANT FIRMENICH SA (CH) 2024-04-04 WO disclosed
WO-2023094502-A1 PROCESS FOR PREPARING A CYCLIC DIENE FIRMENICH SA (CH) 2023-06-01 WO disclosed
WO-2023006910-A2 PROCESS FOR PREPARING A OXACYLOHEXANE OR OXACYLOPENTANE DERIVATIVE FIRMENICH SA (CH) 2023-02-02 WO disclosed
EP-4103537-A1 LILY OF THE VALLEY ODORANT Firmenich SA (CH) 2022-12-21 EP disclosed
EP-4097199-A1 ODORANT COMPOUND Firmenich SA (CH) 2022-12-07 EP disclosed
EP-4085052-A1 COMPOUNDS FOR PROVIDING A LONG-LASTING ODOR Firmenich SA (CH) 2022-11-09 EP disclosed
WO-2021209393-A1 ODORANT COMPOUND FIRMENICH SA (CH) 2021-10-21 WO disclosed
WO-2021209396-A1 COMPOUNDS FOR PROVIDING A LONG-LASTING ODOR FIRMENICH SA (CH) 2021-10-21 WO disclosed
WO-2021209397-A1 LILY OF THE VALLEY ODORANT FIRMENICH SA (CH) 2021-10-21 WO disclosed