SCHEMBL9356497

SCHEMBL9356497

NC(=O)C1OC1c1ccccc1CCCCCCCCCCCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.43
CYSLTR1 Q9Y271 3/20 0.43
MGLL Q99685 1/20 0.33
BID P55957 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
BAK1 Q16611 1/20 0.32
FAAH O00519 3/20 0.31
CES1 P23141 3/20 0.31
F13A1 P00488 1/20 0.31
TGM2 P21980 1/20 0.31
ATM Q13315 1/20 0.31
LTB4R Q15722 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
TBXA2R P21731 1/20 0.30

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
SCHEMBL9360569 0.86 HDAC1 (0.45) CYSLTR2CYSLTR1HDAC1HDAC8SIRT2
SCHEMBL9356869 0.83 CYSLTR2 (0.53) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9356843 0.83 BID (0.49) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9356495 0.83 BID (0.49) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL10445309 0.83 BID (0.49) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9356850 0.83 BID (0.49) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9356490 0.83 BID (0.49) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9360562 0.80 HDAC1 (0.46) CYSLTR2CYSLTR1ATMHDAC1HDAC8
SCHEMBL9356518 0.79 CYSLTR2 (0.47) CYSLTR2CYSLTR1MCL1TBXA2R
SCHEMBL9360639 0.79 ALDH1A1 (0.40) CYSLTR2CYSLTR1

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-0403250-B1 Phenylglycidamides useful for preparing alpha-hydroxy-beta-sulfido-arylpropionic acid derivatives SMITHKLINE BEECHAM CORP (US) 1994-11-23 EP disclosed
EP-0403250-A2 Phenylglycidamides useful for preparing alpha-hydroxy-beta-sulfido-arylpropionic acid derivatives SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed