SCHEMBL29626008

SCHEMBL29626008

CC(C)=CCCC1=CC[C@H](C=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 1/20 0.53
FNTA P49354 2/20 0.50
PKM P14618 1/20 0.50
PGGT1B P53609 1/20 0.50
MCL1 Q07820 10/20 0.44
BCL2L1 Q07817 5/20 0.44
FNTB P49356 1/20 0.44
BCL2 P10415 8/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
CHRNA7 P36544 1/20 0.37
STAT3 P40763 1/20 0.37

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
SCHEMBL214415 1.00 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL19717960 1.00 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL10812465 0.92 FNTA (0.56) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL10812462 0.92 FNTA (0.56) ALDH1A1MEN1KMT2AMAPTFNTA
Lyral SCHEMBL5986927 0.87 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL8780535 0.87 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL5316894 0.83 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL7874439 0.82 MEN1 (0.41) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL9414347 0.82 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTFNTA
SCHEMBL13976301 0.81 PLA2G2A (0.47) ALDH1A1MEN1KMT2AMAPTFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232536-A1 A SYNERGISTIC PERFUMING COMPOSITION Firmenich SA (CH) 2023-08-30 EP claimed
EP-4229165-A1 A SYNERGISTIC PERFUMING COMPOSITION Firmenich SA (CH) 2023-08-23 EP claimed
CN-116568786-A Synergistic perfuming composition 弗门尼舍有限公司 2023-08-08 CN claimed
CN-116528818-A Synergistic perfuming composition 弗门尼舍有限公司 2023-08-01 CN claimed
WO-2022129351-A1 A SYNERGISTIC PERFUMING COMPOSITION FIRMENICH SA (CH) 2022-06-23 WO claimed
WO-2022129371-A1 A SYNERGISTIC PERFUMING COMPOSITION FIRMENICH SA (CH) 2022-06-23 WO claimed
CN-111050856-B Methods for identifying positive allosteric modulators of odorant receptors 弗门尼舍有限公司 2024-12-31 CN disclosed
EP-4232536-A1 A SYNERGISTIC PERFUMING COMPOSITION Firmenich SA (CH) 2023-08-30 EP disclosed
EP-4229165-A1 A SYNERGISTIC PERFUMING COMPOSITION Firmenich SA (CH) 2023-08-23 EP disclosed
CN-116568786-A Synergistic perfuming composition 弗门尼舍有限公司 2023-08-08 CN disclosed
CN-116528818-A Synergistic perfuming composition 弗门尼舍有限公司 2023-08-01 CN disclosed
WO-2022129371-A1 A SYNERGISTIC PERFUMING COMPOSITION FIRMENICH SA (CH) 2022-06-23 WO disclosed
WO-2022129351-A1 A SYNERGISTIC PERFUMING COMPOSITION FIRMENICH SA (CH) 2022-06-23 WO disclosed