SCHEMBL19856862

SCHEMBL19856862

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Oc2ccccc2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.42
FLT3 P36888 1/20 0.40
LGALS8 O00214 2/20 0.37
LGALS3 P17931 2/20 0.37
DRD2 P14416 2/20 0.37
XDH P47989 1/20 0.37
CYP51A1 Q16850 1/20 0.36
PYGL P06737 1/20 0.36
DRD3 P35462 1/20 0.36
ELANE P08246 4/20 0.36
KMT2A Q03164 1/20 0.36
BTK Q06187 1/20 0.35

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
SCHEMBL19856864 1.00 STAT6 (0.42) STAT6FLT3LGALS8LGALS3DRD2
SCHEMBL19856896 0.90 PYGL (0.43) STAT6DRD2CYP51A1PYGLDRD3
SCHEMBL19856898 0.90 PYGL (0.43) STAT6DRD2CYP51A1PYGLDRD3
SCHEMBL19856863 0.89 STAT6 (0.45) STAT6FLT3DRD2XDHCYP51A1
SCHEMBL19856861 0.89 STAT6 (0.45) STAT6FLT3DRD2XDHCYP51A1
SCHEMBL1549871 0.89 CYP51A1 (0.40) STAT6DRD2CYP51A1PYGL
SCHEMBL19856943 0.88 DRD2 (0.42) STAT6DRD2CYP51A1PYGLDRD3
SCHEMBL19856942 0.88 DRD2 (0.42) STAT6DRD2CYP51A1PYGLDRD3
SCHEMBL19856925 0.88 STAT6 (0.43) STAT6FLT3DRD2XDHCYP51A1
SCHEMBL19856924 0.88 STAT6 (0.43) STAT6FLT3DRD2XDHCYP51A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925857-B1 USE OF TRPV4 ANTAGONISTS TO AMELIORATE HYDROCEPHALUS AND RELATED MATERIALS AND METHODS UNIV INDIANA RES & TECH CORP (US) 2018-02-14 EP claimed