SCHEMBL10424313

SCHEMBL10424313

CC(CCCCCCCCc1ccccc1)(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
FAAH O00519 3/20 0.47
CES1 P23141 3/20 0.47
POLB P06746 1/20 0.46
GRM2 Q14416 1/20 0.46
GRM3 Q14832 1/20 0.46
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 2/20 0.45
ALOX5 P09917 2/20 0.45
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL29456136 0.83 GAA (0.44) CES1
SCHEMBL29456058 0.83 GAA (0.44) CES1
SCHEMBL3242856 0.83 GAA (0.44) CES1
SCHEMBL6344599 0.83 GAA (0.44) CES1
SCHEMBL4003489 0.83 CYP2C19 (0.44) MAPTHDAC1HDAC2HDAC3HDAC4
SCHEMBL28727639 0.82 GAA (0.43) CES1
SCHEMBL28727663 0.82 GAA (0.43) CES1
SCHEMBL28727517 0.82 GAA (0.43) CES1
SCHEMBL3279710 0.82 CYP2C19 (0.41) MAPTRXFP1CES1POLBHDAC1
SCHEMBL28727429 0.82 GAA (0.43) CES1

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-0202759-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-20 EP disclosed
EP-0202759-A2 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1986-11-26 EP disclosed