SCHEMBL29690390

SCHEMBL29690390

Cc1ccc(OC(C)CC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NLRP1 Q9C000 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MTNR1A P48039 2/20 0.40
▸ MTNR1B P49286 2/20 0.40
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CA4 P22748 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
SCHEMBL9869523 0.91 ACHE (0.44) KMT2AALDH1A1MAPTNLRP1MEN1
SCHEMBL11800930 0.91 MTNR1A (0.44) KMT2AMAPTMTNR1AMTNR1B
SCHEMBL26603624 0.85 PPARG (0.45) KMT2AALDH1A1MAPTNLRP1MEN1
SCHEMBL23586068 0.83 MTNR1A (0.46) KMT2AMAPTMEN1ACHETSHR
SCHEMBL8523372 0.83 MAPT (0.41) KMT2AALDH1A1MAPTNLRP1MEN1
SCHEMBL10799462 0.81 MTNR1A (0.42) KMT2AMEN1MTNR1AMTNR1BCA1
SCHEMBL21074870 0.81 ACHE (0.39) KMT2AALDH1A1MAPTNLRP1MEN1
SCHEMBL16254957 0.80 MTNR1A (0.55) MAPTMTNR1AMTNR1BLMNASLC6A4
SCHEMBL8263616 0.80 ACHE (0.42) KMT2AALDH1A1MAPTNLRP1MEN1
SCHEMBL13064360 0.80 ACHE (0.42) KMT2AALDH1A1MAPTNLRP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116670108-A Ether compounds as volatiles for treating amino acid based substrates such as skin and hair 迈图高新材料有限责任公司 2023-08-29 — — CN claimed
EP-4277591-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR Momentive Performance Materials GmbH (DE) 2023-11-22 — — EP disclosed
CN-116670108-A Ether compounds as volatiles for treating amino acid based substrates such as skin and hair 迈图高新材料有限责任公司 2023-08-29 — — CN disclosed
WO-2022152742-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2022-07-21 — — WO disclosed
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