SCHEMBL29690110

SCHEMBL29690110

Cc1cccc(OC(C)(C)CC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.48
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ DRD2 P14416 2/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ DRD3 P35462 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL29690369 0.91 ACHE (0.44) ACHELMNAALDH1A1POLBHTT
SCHEMBL12557179 0.87 ACHE (0.52) ACHELMNAALDH1A1GAADRD2
SCHEMBL12853903 0.83 ACHE (0.50) ACHELMNAALDH1A1GAADRD2
SCHEMBL15075251 0.81 ACHE (0.48) ACHELMNAALDH1A1POLBGAA
SCHEMBL10610070 0.81 CYP3A4 (0.46) ACHELMNAALDH1A1DRD2DRD4
SCHEMBL15488959 0.80 ACHE (0.52) ACHELMNAALDH1A1HTTGAA
SCHEMBL7604507 0.79 ACHE (0.46) ACHELMNAALDH1A1POLBGAA
SCHEMBL7561328 0.79 ACHE (0.54) ACHELMNAALDH1A1POLBHTT
SCHEMBL7386225 0.78 ACHE (0.58) ACHELMNAALDH1A1HTTGAA
SCHEMBL899654 0.78 RIPK1 (0.41) LMNAALDH1A1POLBTSHRMAPK1

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
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 claimed
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 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
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
Send feedback