SCHEMBL28063274

SCHEMBL28063274

CC(=O)C(C)(C(=O)OC(C)C)C(C)C.[Ti]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
ABCB11 O95342 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADRB3 P13945 1/20 0.35
HPGD P15428 1/20 0.35
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL28213273 0.98 TSHR (0.44) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL27770500 0.96 TSHR (0.42) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL27857644 0.77 TSHR (0.46) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL13382476 0.75 GAA (0.36) TSHRLMNACYP2C19TDP1GAA
SCHEMBL28725271 0.73 TSHR (0.46) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL7064242 0.73 TSHR (0.52) TSHRMEN1KMT2AUSP2ABCB11
Hydrochloric Acid SCHEMBL29090138 0.73 TSHR (0.46) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL28003405 0.72 TSHR (0.41) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL5512678 0.72 TSHR (0.43) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL2478389 0.71 TSHR (0.48) TSHRMEN1KMT2AUSP2ABCB11

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
CN-105524282-A Organic boron silicon adhesion promoter with high refractive index as well as preparation method and application of organic boron silicon adhesion promoter UNIV SOUTH CHINA TECH 2016-04-27 CN claimed
CN-105524282-A Organic boron silicon adhesion promoter with high refractive index as well as preparation method and application of organic boron silicon adhesion promoter UNIV SOUTH CHINA TECH 2016-04-27 CN disclosed