SCHEMBL4179901

SCHEMBL4179901

CCCC1CCC(CCC)N1C(=O)Cc1c(CC(C)(C)C=O)oc2ccc(OC)cc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.39
MTNR1A P48039 8/20 0.39
MTNR1B P49286 7/20 0.39
ALDH1A1 P00352 6/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 2/20 0.37
SLC22A12 Q96S37 2/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL4182830 0.82 POLB (0.43) KDM4EMTNR1AMTNR1BALDH1A1TSHR
SCHEMBL4484396 0.82 POLB (0.43) KDM4EMTNR1AMTNR1BALDH1A1TSHR
SCHEMBL4484390 0.82 POLB (0.43) KDM4EMTNR1AMTNR1BALDH1A1TSHR
SCHEMBL4182824 0.82 POLB (0.43) KDM4EMTNR1AMTNR1BALDH1A1TSHR
SCHEMBL4187155 0.72 NQO1 (0.40) KDM4EMTNR1AMTNR1BALDH1A1MAPK1
SCHEMBL4196173 0.72 SLC22A12 (0.39) KDM4EMTNR1AMTNR1BALDH1A1HPGD
SCHEMBL4179943 0.71 KDM4E (0.50) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL13762383 0.70 RAB9A (0.38) MEN1KMT2ANPC1RAB9A
SCHEMBL4188710 0.66 MTNR1A (0.46) KDM4EMTNR1AMTNR1BALDH1A1HPGD
SCHEMBL4341358 0.62 MEN1 (0.45) KDM4EMTNR1AMTNR1BALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664011-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-02-25 EP claimed
EP-1664011-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-06-07 EP claimed
WO-2005020917-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-03-10 WO claimed
EP-1664011-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-02-25 EP disclosed
EP-1664011-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-06-07 EP disclosed
WO-2005020917-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-03-10 WO disclosed