SCHEMBL28048852

SCHEMBL28048852

CCC(CCC(=O)[AlH2])C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
USP2 O75604 1/20 0.38
CA2 P00918 6/20 0.36
CA1 P00915 4/20 0.36
MAPK1 P28482 1/20 0.35
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL25853752 0.81 ALDH1A1 (0.43) TSHRUSP2CA2CA1MAPK1
SCHEMBL723391 0.79 FOLH1 (0.48) HDAC8HDAC1HDAC2
SCHEMBL27543202 0.77 TSHR (0.38) TSHRUSP2CA2CA1MAPK1
SCHEMBL8722957 0.77 CA2 (0.43) TSHRUSP2CA2CA1MAPK1
SCHEMBL5377086 0.75
SCHEMBL13636208 0.75
SCHEMBL541995 0.74
SCHEMBL27210235 0.74 SLC1A1 (0.49) TSHRUSP2CA2CA1HDAC7
SCHEMBL14530960 0.73 KISS1R (0.50) TSHRUSP2CA2CA1MAPK1
SCHEMBL28192721 0.73 CA2 (0.45) TSHRUSP2CA2CA1MAPK1

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-105190901-B Field effect transistor 东丽株式会社 2018-12-04 CN disclosed
CN-105190901-A Field effect transistor TORAY INDUSTRIES 2015-12-23 CN disclosed