SCHEMBL19856924

SCHEMBL19856924

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.43
FLT3 P36888 1/20 0.40
DRD2 P14416 1/20 0.39
CYP51A1 Q16850 1/20 0.38
XDH P47989 1/20 0.38
EGFR P00533 2/20 0.37
PIK3CA P42336 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ELANE P08246 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
PYGL P06737 1/20 0.36
CCKBR P32239 1/20 0.36

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
SCHEMBL19856925 1.00 STAT6 (0.43) STAT6FLT3DRD2CYP51A1XDH
SCHEMBL19856861 0.94 STAT6 (0.45) STAT6FLT3DRD2CYP51A1XDH
SCHEMBL19856863 0.94 STAT6 (0.45) STAT6FLT3DRD2CYP51A1XDH
SCHEMBL19856894 0.91 DRD2 (0.45) STAT6DRD2CYP51A1EGFRPIK3CA
SCHEMBL19856892 0.91 DRD2 (0.45) STAT6DRD2CYP51A1EGFRPIK3CA
SCHEMBL1931636 0.90 CYP51A1 (0.43) STAT6DRD2CYP51A1EGFRPIK3CA
SCHEMBL19856864 0.88 STAT6 (0.42) STAT6FLT3DRD2CYP51A1XDH
SCHEMBL19856862 0.88 STAT6 (0.42) STAT6FLT3DRD2CYP51A1XDH
SCHEMBL1931303 0.86 DRD2 (0.47) STAT6DRD2CYP51A1TAS1R3TAS1R1
SCHEMBL1931738 0.86 DRD2 (0.47) STAT6DRD2CYP51A1TAS1R3TAS1R1

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