SCHEMBL5154201

SCHEMBL5154201

COc1ccc2[nH]c(C)c(CC(=O)Cl)c2c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.39
CNR1 P21554 1/20 0.38
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
AKR1C2 P52895 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
PTPN5 P54829 1/20 0.35
ABCB1 P08183 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRB2 P07550 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL998208 0.91 AKR1C2 (0.46) POLBMAPTHPGDCNR1PTGDR
SCHEMBL18765238 0.87 POLB (0.38) POLBMAPTHPGDCNR1PTGDR
SCHEMBL5154300 0.87 POLB (0.38) POLBMAPTHPGDCNR1PTGDR
SCHEMBL5806535 0.86 POLB (0.41) POLBMAPTHPGDCNR1MRGPRX4
SCHEMBL8671570 0.85 POLB (0.40) POLBMAPTHPGDCNR1MRGPRX4
SCHEMBL4691290 0.85 PTGS1 (0.44) POLBMAPTHPGDCNR1PTGDR
Hydrochloric Acid SCHEMBL5805761 0.84 KRAS (0.43) POLBMAPTHPGDCNR1MRGPRX4
SCHEMBL5809614 0.84 MEN1 (0.40) POLBMAPTHPGDPTGDRPTGDR2
SCHEMBL5806286 0.84 POLB (0.35) POLBMAPTHPGDCNR1PTGDR
SCHEMBL7761162 0.84 PTGS2 (0.39) POLBMAPTHPGDCNR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1610776-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2007-03-28 EP disclosed
EP-1610776-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co. Inc. (US) 2006-01-04 EP disclosed
WO-2004087051-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2004-10-14 WO disclosed