SCHEMBL29690167

SCHEMBL29690167

CC(CCOc1ccccc1)CC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
HTR1B P28222 2/20 0.43
LMNA P02545 1/20 0.43
HTR1D P28221 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
LTA4H P09960 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA7 P36544 2/20 0.41
CHRNA4 P43681 2/20 0.41
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
PPARA Q07869 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL8962073 0.86 ALDH1A1 (0.44) SIGMAR1LMNAALDH1A1RECQLTDP1
SCHEMBL9503356 0.85 KCNA3 (0.58) KCNA3SIGMAR1HTR1BLMNAHTR1D
SCHEMBL25165708 0.84 DRD2 (0.43) LMNATDP1MAPK1HPGDPPARA
SCHEMBL11330774 0.83 TDP1 (0.64) ALDH1A1LTA4HTDP1MAPK1HPGD
SCHEMBL7785544 0.83 LTA4H (0.46) LTA4HTDP1MAPK1
SCHEMBL2458265 0.83 TDP1 (0.39) SIGMAR1TDP1MAPK1
SCHEMBL29690492 0.82 SMN1; SMN2 (0.47) TDP1MAPK1
SCHEMBL21400316 0.81 PPARA (0.43) TDP1CHRNA7MAPK1PPARA
SCHEMBL9058674 0.81 MAPK1 (0.68) ALDH1A1MAPK1PKM
SCHEMBL7837903 0.80 TDP1 (0.40) LMNAALDH1A1LTA4HTDP1MAPK1

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
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