SCHEMBL28007708

SCHEMBL28007708

CC(C)(C)c1c[c]cc(C(C)(C)C)c1.[LiH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
TYR P14679 1/20 0.32
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL61700 0.97 GABRA1 (0.46) GABRA1GABRB2POLBALDH1A1HPGD
SCHEMBL27477402 0.94 GABRA1 (0.43) GABRA1GABRB2POLBALDH1A1HPGD
SCHEMBL27495140 0.94 GABRA1 (0.43) GABRA1GABRB2POLBALDH1A1HPGD
Magnesium Chloride Anhydrous SCHEMBL27957567 0.87 GABRA1 (0.39) GABRA1GABRB2POLBALDH1A1HPGD
SCHEMBL27957557 0.87 GABRA1 (0.44) GABRA1GABRB2POLBALDH1A1HPGD
SCHEMBL27957555 0.87 GABRA1 (0.39) GABRA1GABRB2POLBALDH1A1HPGD
SCHEMBL2879163 0.85 KIF11 (0.38) GABRA1GABRB2POLBMAPTKIF11
SCHEMBL1561562 0.83 TSHR (0.42) GABRA1GABRB2POLBALDH1A1HPGD
SCHEMBL2877621 0.81 GABRA1 (0.33) GABRA1GABRB2POLBALDH1A1HPGD
SCHEMBL2874356 0.79 GABRA1 (0.32) GABRA1GABRB2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848668-B Pyridinylamino IVB group binuclear metal complex and preparation and application thereof 万华化学集团股份有限公司 2023-03-03 CN claimed
CN-111848668-A Pyridinylamino IVB group binuclear metal complex and preparation and application thereof 万华化学集团股份有限公司 2020-10-30 CN claimed
CN-116178455-B Preparation method of ferrocene chiral phosphine ligand 江苏欣诺科催化剂股份有限公司 2023-08-18 CN disclosed
CN-116178455-A Preparation method of ferrocene chiral phosphine ligand 江苏欣诺科催化剂股份有限公司 2023-05-30 CN disclosed
CN-111848668-B Pyridinylamino IVB group binuclear metal complex and preparation and application thereof 万华化学集团股份有限公司 2023-03-03 CN disclosed
CN-111848668-A Pyridinylamino IVB group binuclear metal complex and preparation and application thereof 万华化学集团股份有限公司 2020-10-30 CN disclosed
CN-104610355-B Indole framework based center chirality sulfonamides monophosphine ligand and preparation method 华东师范大学 2017-01-11 CN disclosed
CN-104610355-A Indole framework based center chirality sulfonamides monophosphine ligand and preparation method UNIV EAST CHINA NORMAL 2015-05-13 CN disclosed