SCHEMBL21628253

SCHEMBL21628253

CC(C)(C)c1cc(CC(C)(C(=O)O)c2ccc(O)c(C(C)(C)C)c2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
ALOX15 P16050 5/20 0.47
HSD17B10 Q99714 4/20 0.47
CYP1A2 P05177 4/20 0.47
MAPT P10636 4/20 0.47
CYP3A4 P08684 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
BLM P54132 3/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
USP2 O75604 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
EGFR P00533 1/20 0.47
FYN P06241 1/20 0.47
APEX1 P27695 1/20 0.47
ADRA1A P35348 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL28433325 0.85 ALDH1A1 (0.47) ALDH1A1ALOX15HSD17B10CYP1A2MAPT
SCHEMBL10542020 0.82 ALDH1A1 (0.44) ALDH1A1ALOX15HSD17B10CYP1A2MAPT
SCHEMBL9669894 0.79 GAA (0.43) ALDH1A1ALOX15HSD17B10GAALMNA
SCHEMBL7271884 0.79 ALDH1A1 (0.74) ALDH1A1ALOX15HSD17B10CYP1A2MAPT
SCHEMBL7271888 0.79 ALDH1A1 (0.74) ALDH1A1ALOX15HSD17B10CYP1A2MAPT
SCHEMBL28418514 0.78 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10CYP1A2MAPT
SCHEMBL11361036 0.76 ALDH1A1 (0.52) ALDH1A1ALOX15HSD17B10CYP1A2MAPT
SCHEMBL11687158 0.76 ALDH1A1 (0.52) ALDH1A1ALOX15HSD17B10CYP1A2MAPT
SCHEMBL28791236 0.76 ALDH1A1 (0.45) ALDH1A1ALOX15HSD17B10CYP1A2MAPT
SCHEMBL73802 0.76 ALDH1A1 (0.55) ALDH1A1ALOX15HSD17B10CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11261403-B2 Stabilized compositions comprising leuco compounds MILLIKEN & COMPANY (US) 2022-03-01 US claimed
US-11261403-B2 Stabilized compositions comprising leuco compounds MILLIKEN & COMPANY (US) 2022-03-01 US disclosed
US-20200032167-A1 STABILIZED COMPOSITIONS COMPRISING LEUCO COMPOUNDS MILLIKEN & COMPANY 2020-01-30 US disclosed