SCHEMBL3410646

SCHEMBL3410646

CC(C)(C)Oc1cc(CCl)ccc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
L3MBTL1 Q9Y468 3/20 0.36
TTR P02766 2/20 0.36
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
ERN1 O75460 2/20 0.33
TUBB1 Q9H4B7 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
TRIM24 O15164 1/20 0.31
TYR P14679 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
SCHEMBL5804029 0.87 TTR (0.36) ALDH1A1L3MBTL1TTRHPGDSMN1; SMN2
SCHEMBL28783867 0.83 ALDH1A1 (0.58) ALDH1A1L3MBTL1TTRHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL3633618 0.79 ALDH1A1 (0.40) ALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL20710992 0.77 ALDH1A1 (0.55) ALDH1A1L3MBTL1HPGDSMN1; SMN2HTT
SCHEMBL28526096 0.77 ALDH1A1 (0.44) ALDH1A1L3MBTL1HPGDSMN1; SMN2ERN1
SCHEMBL4868031 0.76 CA1 (0.41) ALDH1A1L3MBTL1HPGDSMN1; SMN2HTT
SCHEMBL28987609 0.73 ALDH1A1 (0.43) ALDH1A1L3MBTL1HPGDSMN1; SMN2HTT
SCHEMBL8533780 0.72 ALDH1A1 (0.50) ALDH1A1L3MBTL1TTRHPGDSMN1; SMN2
SCHEMBL10490593 0.71 TDP1 (0.38) L3MBTL1SMN1; SMN2HTTERN1TDP1
SCHEMBL10490625 0.71 TDP1 (0.57) ALDH1A1TTRHPGDSMN1; SMN2HTT

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
EP-2257559-A1 SYNTHESIS OF CYCLIC CARBONATES University Of Newcastle-Upon Tyne (GB) 2010-12-08 EP disclosed
WO-2009109765-A1 SYNTHESIS OF CYCLIC CARBONATES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2009-09-11 WO disclosed