SCHEMBL8750898

SCHEMBL8750898

CC(C)(C)c1ccc(O)c(-c2c(O)ccc(C(C)(C)C)c2C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
ALOX15 P16050 5/20 0.46
TYR P14679 3/20 0.46
LMNA P02545 3/20 0.46
HSD17B10 Q99714 2/20 0.46
NR1I2 O75469 1/20 0.46
CYP2C9 P11712 1/20 0.46
MIF P14174 1/20 0.46
HTT P42858 1/20 0.46
NFE2L2 Q16236 1/20 0.46
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ATP2A2 P16615 1/20 0.44
ATP2A3 Q93084 1/20 0.44
CA2 P00918 3/20 0.41
HPGD P15428 2/20 0.38

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
SCHEMBL9235789 0.84 ALDH1A1 (0.45) ALDH1A1ALOX15TYRLMNAHSD17B10
SCHEMBL30048420 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15TYRLMNAHSD17B10
SCHEMBL142313 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15TYRLMNAHSD17B10
SCHEMBL30359261 0.82 ALDH1A1 (0.48) ALDH1A1ALOX15TYRLMNAHSD17B10
SCHEMBL3907799 0.82 ALDH1A1 (0.48) ALDH1A1ALOX15TYRLMNAHSD17B10
Ammonia Solution, Strong SCHEMBL478297 0.81 ALDH1A1 (0.46) ALDH1A1ALOX15TYRLMNAHSD17B10
SCHEMBL50519 0.81 ALDH1A1 (0.46) ALDH1A1ALOX15TYRLMNAHSD17B10
SCHEMBL30041549 0.81 ALDH1A1 (0.46) ALDH1A1ALOX15TYRLMNAHSD17B10
SCHEMBL9652135 0.79 ALDH1A1 (0.45) ALDH1A1ALOX15TYRLMNAHSD17B10
SCHEMBL30799097 0.79 ALDH1A1 (0.45) ALDH1A1ALOX15TYRLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710257-B1 IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS SHELL OIL CO (US) 1997-04-02 EP claimed
EP-0710257-B1 IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS SHELL OIL CO (US) 1997-04-02 EP disclosed
EP-0710257-A1 IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS SHELL OIL CO (US) 1996-05-08 EP disclosed
US-5405924-A Imido transition metal complex metathesis catalysts SHELL OIL COMPANY (US) 1995-04-11 US disclosed
WO-1995003346-A1 IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS SHELL OIL COMPANY (US) 1995-02-02 WO disclosed
WO-1994002529-A1 POLYMERIZATION OF CYCLIC OLEFINS SHELL OIL COMPANY (US) 1994-02-03 WO disclosed
US-5142006-A Reaction product of transition metal halide and biphenol compound SHELL OIL COMPANY (US) 1992-08-25 US disclosed