SCHEMBL8798403

SCHEMBL8798403

O=C(O)CC(CC(=O)O)c1ccc(Cl)c(Cl)c1.O=C(O)CC(CC(=O)OC(=O)CC(CC(=O)O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 2/20 0.48
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
FFAR1 O14842 6/20 0.45
GABBR2 O75899 3/20 0.44
GABBR1 Q9UBS5 3/20 0.44
LMNA P02545 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD3 P35462 1/20 0.44
BLM P54132 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 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
SCHEMBL657182 1.00 PRKCZ (0.48) PRKCZFNTAFNTBFFAR1GABBR2
SCHEMBL1532918 0.90 PRKCZ (0.54) PRKCZFNTAFNTBFFAR1GABBR2
SCHEMBL12268167 0.88 FNTA (0.47) PRKCZFNTAFNTBFFAR1LMNA
SCHEMBL657179 0.87 FFAR1 (0.47) PRKCZFNTAFNTBFFAR1GABBR2
SCHEMBL7728006 0.85 FFAR1 (0.50) PRKCZFNTAFNTBFFAR1TSHR
SCHEMBL657117 0.83 PRKCZ (0.53) PRKCZGABBR2GABBR1LMNACYP2C9
SCHEMBL7811403 0.82 TACR1 (0.46) FNTAFNTBLMNACYP2C9CYP3A4
SCHEMBL7873209 0.82 FNTA (0.46) PRKCZFNTAFNTBFFAR1ALDH1A1
SCHEMBL657723 0.82 GABBR2 (0.65) PRKCZFNTAFNTBFFAR1GABBR2
SCHEMBL7633288 0.81 GABBR2 (0.68) PRKCZFFAR1GABBR2GABBR1LMNA

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-0773929-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1997-05-21 EP disclosed
WO-1996039386-A1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-12-12 WO disclosed