SCHEMBL9505680

SCHEMBL9505680

CC(SNS(=O)(=O)c1ccccc1C(=O)C(C)c1ccccc1CCCCCCCCc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 10/20 0.43
CYSLTR1 Q9Y271 10/20 0.43
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
LTB4R Q15722 3/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
BID P55957 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
BAK1 Q16611 1/20 0.35

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
SCHEMBL10431544 0.69 CYSLTR2 (0.47) CYSLTR2CYSLTR1CYP2C9CYP2C19KMT2A
SCHEMBL9505649 0.69 CYSLTR2 (0.48) CYSLTR2CYSLTR1CYP2D6CYP2C9CYP2C19
SCHEMBL9560197 0.69 CYSLTR2 (0.65) CYSLTR2CYSLTR1KMT2ALTB4RBID
SCHEMBL29090154 0.69 CYSLTR2 (0.66) CYSLTR2CYSLTR1CYP2D6CYP2C9CYP2C19
SCHEMBL9504777 0.67 CYSLTR2 (0.57) CYSLTR2CYSLTR1CYP2D6CYP2C9CYP2C19
SCHEMBL9504779 0.66 CYSLTR2 (0.59) CYSLTR2CYSLTR1CYP2D6CYP2C9CYP2C19
SCHEMBL10435204 0.65 CYSLTR2 (0.62) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL3242848 0.65 CYSLTR2 (0.62) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL6449278 0.64 CYSLTR2 (0.44) CYSLTR2CYSLTR1CYP2D6CYP2C9CYP2C19
SCHEMBL9428890 0.64 CYSLTR2 (0.50) CYSLTR2CYSLTR1BIDBCL2L1MCL1

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
EP-0375348-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-23 EP claimed