SCHEMBL5566910

SCHEMBL5566910

CC(C)(C)c1cc(O)ccc1C(c1cc(C(c2ccc(O)cc2C(C)(C)C)C(C)(C)C)c(O)c(C(c2ccc(O)cc2C(C)(C)C)C(C)(C)C)c1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TYR P14679 3/20 0.44
CYP2C9 P11712 2/20 0.44
ALOX15 P16050 2/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
MIF P14174 1/20 0.44
HTT P42858 1/20 0.44
NFE2L2 Q16236 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 2/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA2 P00918 3/20 0.32
CA1 P00915 1/20 0.32
ESR1 P03372 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL2799339 0.83 TYR (0.46) ALDH1A1TYRCYP2C9ALOX15NR1I2
SCHEMBL6407103 0.78 ALDH1A1 (0.47) ALDH1A1TYRCYP2C9ALOX15NR1I2
SCHEMBL2021753 0.78 ALDH1A1 (0.47) ALDH1A1TYRCYP2C9ALOX15NR1I2
SCHEMBL462889 0.75 ALDH1A1 (0.44) ALDH1A1TYRCYP2C9ALOX15NR1I2
SCHEMBL28455950 0.74 CYP2C9 (0.43) ALDH1A1TYRCYP2C9ALOX15NR1I2
SCHEMBL1615540 0.73 ALDH1A1 (0.53) ALDH1A1TYRCYP2C9ALOX15NR1I2
SCHEMBL5377400 0.72 ALDH1A1 (0.57) ALDH1A1TYRCYP2C9ALOX15NR1I2
SCHEMBL5167337 0.70 ALDH1A1 (0.50) ALDH1A1TYRCYP2C9ALOX15NR1I2
SCHEMBL7681246 0.70 ALDH1A1 (0.50) ALDH1A1TYRCYP2C9ALOX15NR1I2
SCHEMBL3979928 0.69 TYR (0.49) ALDH1A1TYRCYP2C9ALOX15NR1I2

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
EP-1751223-A1 FLAME RETARDANTS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-02-14 EP disclosed
WO-2005113661-A1 FLAME RETARDANTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-12-01 WO disclosed