SCHEMBL28020093

SCHEMBL28020093

CCCCOc1cccc(C)c1C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
PTPN1 P18031 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL23748687 0.95 LMNA (0.50) CA12CA1CA2CA7CA9
SCHEMBL10339837 0.84 TP53 (0.50) TDP1TSHRTP53PTPN1CYP1A2
SCHEMBL17502724 0.84 TSHR (0.51) CA12CA1CA2CA7CA9
SCHEMBL11839195 0.82 TSHR (0.61) CA12CA1CA2CA7CA9
SCHEMBL4273334 0.82 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL282595 0.81 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL4626793 0.81 TSHR (0.64) CA12CA1CA2CA7CA9
SCHEMBL28820153 0.81 NFKB1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL28026741 0.80 TSHR (0.48) SMN1; SMN2LMNATDP1TSHRTP53
SCHEMBL23748674 0.80 PPARA (0.50) LMNAMAPTTDP1TSHRTP53

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