SCHEMBL6943816

SCHEMBL6943816

CC(C)[C@@H](CCO)c1ccc(C(C)(C)C)c(O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
ALOX15 P16050 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 2/20 0.38
ATP2A2 P16615 1/20 0.38
ATP2A3 Q93084 1/20 0.38
TDP1 Q9NUW8 5/20 0.35
TSHR P16473 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2D6 P10635 2/20 0.35
TP53 P04637 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 4/20 0.33
LMNA P02545 3/20 0.33
POLB P06746 3/20 0.33
HSD17B10 Q99714 2/20 0.33
TYR P14679 2/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL31305634 0.76 TRPA1 (0.55) KDM4EALDH1A1MAPTALOX15SMN1; SMN2
SCHEMBL2791357 0.76 TRPA1 (0.55) KDM4EALDH1A1MAPTALOX15SMN1; SMN2
SCHEMBL6948298 0.75 LMNA (0.43) ALDH1A1MAPTTSHRTP53LMNA
SCHEMBL6940717 0.75 LMNA (0.43) ALDH1A1MAPTTSHRTP53LMNA
SCHEMBL6949104 0.74 ALOX5AP (0.47) MAPTTDP1LMNANFE2L2
SCHEMBL6940750 0.74 ALOX5AP (0.47) MAPTTDP1LMNANFE2L2
SCHEMBL11449785 0.73 ALDH1A1 (0.54) KDM4EALDH1A1MAPTALOX15SMN1; SMN2
SCHEMBL10067193 0.70 ALOX15 (0.39) KDM4EALDH1A1MAPTALOX15SMN1; SMN2
SCHEMBL11088678 0.69 AKR1C3 (0.48) CYP1A2TSHRCYP2C9CYP2C19KMT2A
SCHEMBL13378285 0.68 KDM4E (0.50) KDM4EALDH1A1MAPTALOX15CYP1A2

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-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed