SCHEMBL2173032

SCHEMBL2173032

NC(=O)CCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.74
SRD5A2 P31213 2/20 0.64
FFAR4 Q5NUL3 3/20 0.62
PLAAT3 P53816 2/20 0.57
PLAAT5 Q96KN8 2/20 0.57
PLAAT2 Q9NWW9 2/20 0.57
PLAAT4 Q9UL19 2/20 0.57
PARP10 Q53GL7 1/20 0.55
CES1 P23141 2/20 0.54
LTA4H P09960 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL9094542 0.90 FFAR1 (0.65) FFAR1SRD5A2FFAR4PLAAT3PLAAT5
SCHEMBL4653480 0.86 FFAR1 (0.60) FFAR1SRD5A2FFAR4PLAAT3PLAAT5
SCHEMBL28835314 0.85 FFAR1 (0.79) FFAR1SRD5A2FFAR4PLAAT3PLAAT5
SCHEMBL2774842 0.85 FFAR1 (1.00) FFAR1SRD5A2FFAR4PLAAT3PLAAT5
SCHEMBL2171661 0.84 FFAR1 (0.53) FFAR1SRD5A2FFAR4LTA4H
SCHEMBL2170992 0.84 FFAR1 (0.53) FFAR1SRD5A2FFAR4PARP10LTA4H
SCHEMBL2169720 0.84 F2RL1 (0.62) FFAR1PARP10SMN1; SMN2
SCHEMBL2172243 0.84 FFAR1 (0.53) FFAR1SRD5A2FFAR4PARP10LTA4H
SCHEMBL2170915 0.83 FFAR1 (0.58) FFAR1SRD5A2FFAR4PARP10LTA4H
SCHEMBL2036020 0.83 FFAR1 (0.76) FFAR1FFAR4PARP10CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103288669-A Atrolactic acid amide derivative and applications thereof UNIV NANKAI 2013-09-11 CN claimed
CN-103288669-B Atrolactic acid amide derivative and applications thereof UNIV NANKAI 2015-06-24 CN disclosed
CN-103288669-A Atrolactic acid amide derivative and applications thereof UNIV NANKAI 2013-09-11 CN disclosed
EP-2349252-A2 SYNERGISTIC COMBINATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS Exelixis, Inc. (US) 2011-08-03 EP disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed
WO-2010045580-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS EXELIXIS, INC. (US) 2010-04-22 WO disclosed
WO-2010045601-A2 SYNERGISTIC EFFECTS BETWEEN SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS EXELIXIS, INC. (US) 2010-04-22 WO disclosed