SCHEMBL29831721

SCHEMBL29831721

CC(C)=CC(=O)/C=C(/C)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HTT P42858 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
PKM P14618 2/20 0.47
ATM Q13315 2/20 0.47
HPGD P15428 2/20 0.47
NLRP1 Q9C000 1/20 0.47
MEN1 O00255 1/20 0.47
NTSR1 P30989 1/20 0.47
KMT2A Q03164 1/20 0.47
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
STAT3 P40763 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL9609511 0.81 ALDH1A1 (0.52) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL12921562 0.81 ALDH1A1 (0.52) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL14731820 0.81 ALDH1A1 (0.52) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL15784370 0.79 ALDH1A1 (0.61) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL9613249 0.79 NR4A1 (0.61) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL12883158 0.79 NR4A1 (0.61) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL8844390 0.77 ALDH1A1 (0.64) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL30586729 0.76 ALDH1A1 (0.47) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL13864069 0.74 TDP1 (0.53) ALDH1A1HTTNPSR1LMNASMN1; SMN2
SCHEMBL13267855 0.74 ALDH1A1 (0.45) ALDH1A1HTTNPSR1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022119738-A1 CLEAR, STABLE, WATER-BASED MICROEMULSION FORMULATIONS, COMPOSITIONS AND METHODS FOR PEST CONTROL TYRATECH, INC. (US) 2022-06-09 WO disclosed