SCHEMBL9505649

SCHEMBL9505649

CC(SC(CC(=O)NS(C)(=O)=O)c1ccccc1CCCCCCCCc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.48
CYSLTR1 Q9Y271 9/20 0.48
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LTB4R Q15722 1/20 0.36
POLB P06746 1/20 0.36
ALOX5 P09917 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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 0.90 CYSLTR2 (0.47) CYSLTR2CYSLTR1KMT2AHPGDALDH1A1
SCHEMBL9560197 0.85 CYSLTR2 (0.65) CYSLTR2CYSLTR1KMT2AHPGDALDH1A1
SCHEMBL9505650 0.83 CYSLTR2 (0.73) CYSLTR2CYSLTR1
SCHEMBL9504779 0.77 CYSLTR2 (0.59) CYSLTR2CYSLTR1KMT2ACYP2D6CYP2C9
SCHEMBL29090154 0.74 CYSLTR2 (0.66) CYSLTR2CYSLTR1KMT2ACYP2D6CYP2C9
SCHEMBL9503582 0.72 CYSLTR2 (0.72) CYSLTR2CYSLTR1HDAC1
SCHEMBL9503601 0.70 CYSLTR2 (0.48) CYSLTR2CYSLTR1
SCHEMBL6449278 0.69 CYSLTR2 (0.44) CYSLTR2CYSLTR1KMT2AHPGDALDH1A1
SCHEMBL9504777 0.69 CYSLTR2 (0.57) CYSLTR2CYSLTR1KMT2AALDH1A1CYP2D6
SCHEMBL9505680 0.69 CYSLTR2 (0.43) CYSLTR2CYSLTR1KMT2ACYP2D6CYP2C9

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-0375348-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-23 EP disclosed
EP-0375348-A1 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP disclosed