SCHEMBL29022932

SCHEMBL29022932

CC(C)(C)c1cc(-c2ccccc2)c(C(C)(C)C)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
ALOX15 P16050 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP1A2 P05177 1/20 0.58
MAPT P10636 1/20 0.58
ATP2A2 P16615 1/20 0.58
ATP2A3 Q93084 1/20 0.58
BACE1 P56817 1/20 0.50
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2C9 P11712 2/20 0.44
ALOX5 P09917 1/20 0.44
NR1I2 O75469 1/20 0.44
MIF P14174 1/20 0.44

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
SCHEMBL6881561 0.92 BACE1 (0.56) ALDH1A1ALOX15SMN1; SMN2KDM4ECYP1A2
SCHEMBL7761038 0.90 BACE1 (0.64) ALDH1A1ALOX15SMN1; SMN2KDM4ECYP1A2
SCHEMBL6879754 0.80 BACE1 (0.46) ALDH1A1ALOX15SMN1; SMN2KDM4ECYP1A2
Phenol SCHEMBL11597348 0.79 ALDH1A1 (0.68) ALDH1A1ALOX15SMN1; SMN2KDM4ECYP1A2
SCHEMBL30753562 0.77 ALOX5 (0.59) ALDH1A1ALOX15BACE1TSHRTDP1
SCHEMBL28526907 0.77 ALOX5 (0.59) ALDH1A1ALOX15BACE1TSHRTDP1
SCHEMBL15949939 0.77 MEN1 (0.37) ALDH1A1MAPTBACE1TSHRTDP1
SCHEMBL15853177 0.77 ACLY (0.40) CYP1A2MAPTBACE1TSHRLMNA
SCHEMBL16411281 0.77 MEN1 (0.37) ALDH1A1MAPTBACE1TSHRTDP1
SCHEMBL14773891 0.76 TSHR (0.41) ALDH1A1ALOX15SMN1; SMN2KDM4ECYP1A2

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
CN-113501779-B Method for selectively removing benzyl, allyl and propargyl protecting groups by visible light or near visible light 云南大学 2023-06-23 CN disclosed
CN-113501779-A Method for selectively removing benzyl, allyl and propargyl protecting groups initiated by visible light or near visible light 云南大学 2021-10-15 CN disclosed