SCHEMBL9537800

SCHEMBL9537800

O=C(O)CCSC(Cc1nccn1CCCCCCCCc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 8/20 0.47
CYSLTR1 Q9Y271 8/20 0.47
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ESR1 P03372 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC3 O15379 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRA1A P35348 1/20 0.37
HDAC4 P56524 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL9534048 0.79 CYSLTR2 (0.59) CYSLTR2CYSLTR1MAPTRXFP1ESR1
SCHEMBL9534035 0.79 CYSLTR2 (0.59) CYSLTR2CYSLTR1MAPTRXFP1ESR1
SCHEMBL6449277 0.76 CYSLTR2 (0.65) CYSLTR2CYSLTR1MAPTRXFP1HDAC1
SCHEMBL9539184 0.73 CYSLTR2 (0.42) CYSLTR2CYSLTR1MAPTRXFP1SMN1; SMN2
SCHEMBL6030671 0.72 HSP90AA1 (0.44) HDAC1
SCHEMBL10425556 0.69 ALDH1A1 (0.56) MAPK1SMN1; SMN2
SCHEMBL7080844 0.68 KMT2A (0.46) MAPT
SCHEMBL9613875 0.67 MAPT (0.50) CYSLTR2CYSLTR1MAPTRXFP1HDAC1
SCHEMBL5305301 0.67 TLR8 (0.48)
SCHEMBL5291581 0.67 TLR8 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528957-A4 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS 1993-05-05 EP claimed
EP-0528957-A1 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-03 EP claimed
WO-1991016889-A1 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-11-14 WO claimed