SCHEMBL6997718

SCHEMBL6997718

O=CCc1cc(Cl)c(N2CCOCC2)c(Cl)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.49
ALDH3A1 P30838 1/20 0.40
ALDH1A3 P47895 1/20 0.40
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
METAP2 P50579 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 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
SCHEMBL5058580 0.73 GPR55 (0.50) GPR55PRKDCKMT2AMEN1NPC1
SCHEMBL2174830 0.69 PRKDC (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL6997120 0.68 ALDH1A1 (0.48) ALDH3A1ALDH1A3PIK3CDPIK3CAPIK3CB
SCHEMBL7143708 0.67 ALDH3A1 (0.40) ALDH3A1ALDH1A3PIK3CDPIK3CAPIK3CB
SCHEMBL5305294 0.67 MAPT (0.44) GPR55ALDH3A1ALDH1A3PRKDCKMT2A
SCHEMBL9952614 0.66 HPGD (0.35) KMT2AMEN1CYP3A4NPC1PAX8
SCHEMBL7161474 0.66 PRKDC (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL25370544 0.64 LGMN (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1701348 0.63 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4619587 0.63 HSD17B10 (0.39) KMT2AMEN1CYP2C9CYP3A4NPC1

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-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO disclosed