SCHEMBL9428622

SCHEMBL9428622

O=C(O)c1ccc(CSC(c2ccccc2CCCCCCCCc2ccccc2)C(O)C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.69
CYSLTR1 Q9Y271 7/20 0.69
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
BID P55957 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BAK1 Q16611 1/20 0.41
HDAC1 Q13547 1/20 0.41
RARB P10826 4/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RARA P10276 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
PLA2G4B P0C869 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL9427841 0.89 CYSLTR2 (0.66) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9427834 0.89 CYSLTR2 (0.66) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9364859 0.87 CYSLTR2 (0.60) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9364855 0.87 CYSLTR2 (0.60) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9364882 0.86 CYSLTR2 (0.62) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9855870 0.86 CYSLTR2 (0.69) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9855869 0.86 CYSLTR2 (0.69) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9364884 0.86 CYSLTR2 (0.62) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9364468 0.84 CYSLTR2 (0.57) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9364032 0.84 CYSLTR2 (0.57) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296732-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-09 EP claimed
EP-0296732-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 EP claimed
US-5314918-A Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1994-05-24 US disclosed
EP-0296732-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-09 EP disclosed
EP-0403249-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-12-19 EP disclosed
EP-0296732-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1988-12-28 EP disclosed