SCHEMBL28020139

SCHEMBL28020139

CC1(C)CO1.CCCCOC(=O)c1ccccc1C

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.63
TDP1 Q9NUW8 3/20 0.63
L3MBTL1 Q9Y468 3/20 0.63
CYP3A4 P08684 2/20 0.57
MAPK1 P28482 2/20 0.57
TP53 P04637 1/20 0.57
ALDH1A1 P00352 7/20 0.56
LMNA P02545 2/20 0.56
HSD17B10 Q99714 2/20 0.56
KDM4E B2RXH2 3/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
TRPA1 O75762 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL28020077 0.92 ALDH1A1 (0.61) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6057039 0.89 TSHR (0.80) TSHRTDP1L3MBTL1CYP3A4MAPK1
Alcohol SCHEMBL27477392 0.86 TSHR (0.75) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL8661935 0.84 TSHR (0.81) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL15987720 0.83 ALDH1A1 (0.81) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL28487576 0.83 ALDH1A1 (0.81) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL5709964 0.83 ALDH1A1 (0.81) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL15987525 0.83 ALDH1A1 (0.81) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL15987671 0.83 ALDH1A1 (0.81) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6057066 0.83 ALDH1A1 (0.81) TSHRTDP1L3MBTL1CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104829756-A Solid catalyst component for olefin polymerization, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-08-12 CN disclosed