SCHEMBL4179943

SCHEMBL4179943

COc1ccc2oc(CC(C)(C)C=O)c(C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
HPGD P15428 4/20 0.50
MAPT P10636 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
HSD17B10 Q99714 2/20 0.46
MAOA P21397 1/20 0.45
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
DYRK1A Q13627 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
NQO1 P15559 1/20 0.41

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
SCHEMBL4187155 0.79 NQO1 (0.40) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4196173 0.77 SLC22A12 (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11544887 0.74 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL717257 0.73 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11542763 0.72 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4187011 0.71 L3MBTL1 (0.42) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11307102 0.71 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4179901 0.71 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL18045173 0.71 ALDH1A1 (0.77) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11375359 0.70 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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-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