SCHEMBL9900638

SCHEMBL9900638

Cc1cccc(-c2oc(C)nc2C(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
SLC9A1 P19634 3/20 0.44
HCRTR1 O43613 3/20 0.44
HCRTR2 O43614 3/20 0.44
PARP1 P09874 1/20 0.44
DHODH Q02127 1/20 0.43
FPR2 P25090 5/20 0.43
PIN1 Q13526 1/20 0.43
NR4A2 P43354 1/20 0.42
TLR8 Q9NR97 1/20 0.42
IKBKB O14920 2/20 0.41
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41

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
SCHEMBL1167379 0.87 PIN1 (0.54) RXRARXRBRXRGHCRTR1HCRTR2
SCHEMBL1705856 0.85 HCRTR1 (0.46) RXRARXRBRXRGSLC9A1HCRTR1
SCHEMBL13056642 0.83 BRD4 (0.43) HCRTR1HCRTR2FPR2IKBKB
SCHEMBL4738316 0.81 TARBP2 (0.48) RXRARXRBRXRGFPR2NR4A2
SCHEMBL13056643 0.80 PARP1 (0.49) PARP1
SCHEMBL18084238 0.78 FPR2 (0.45) RXRARXRBRXRGSLC9A1HCRTR1
SCHEMBL13056624 0.77 IKBKB (0.44) IKBKB
SCHEMBL3822883 0.77 RIPK2 (0.46) RXRARXRBRXRGSLC9A1PARP1
SCHEMBL13056696 0.77 IKBKB (0.41) IKBKB
SCHEMBL11621589 0.77 SLC9A1 (0.66) SLC9A1IKBKB

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-2649068-A1 OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-10-16 EP disclosed
WO-2012077049-A1 OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-06-14 WO disclosed