SCHEMBL30157232

SCHEMBL30157232

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
ALOX15 P16050 3/20 0.50
CYP2C9 P11712 3/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
MIF P14174 1/20 0.50
TYR P14679 1/20 0.50
HTT P42858 1/20 0.50
NFE2L2 Q16236 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ATP2A2 P16615 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATP2A3 Q93084 1/20 0.43
ATM Q13315 2/20 0.43
GAA P10253 2/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1597142 1.00 ALDH1A1 (0.50) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL30343443 0.93 ALDH1A1 (0.53) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL1596042 0.93 ALDH1A1 (0.53) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL6567193 0.90 GAA (0.48) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL5709842 0.89 GAA (0.47) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL8088903 0.88 ALOX15 (0.55) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL30343454 0.85 ALDH1A1 (0.53) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL1597262 0.85 ALDH1A1 (0.53) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL135082 0.84 ALDH1A1 (0.52) ALDH1A1ALOX15CYP2C9NR1I2LMNA
SCHEMBL29556942 0.84 ALDH1A1 (0.52) ALDH1A1ALOX15CYP2C9NR1I2LMNA

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
CN-115644557-A Cushioning element utilizing foam particles 耐克创新有限合伙公司 2023-01-31 CN disclosed