SCHEMBL4185029

SCHEMBL4185029

CCCCNC(=O)CCCc1c(C(=O)C(C)(C)C)oc2ccc(OC)cc12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.54
MTNR1B P49286 2/20 0.54
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4483730 0.85 KDM4E (0.48) MTNR1AMTNR1BNPC1RAB9AKDM4E
SCHEMBL4486505 0.83 MTNR1A (0.49) MTNR1AMTNR1BNPC1RAB9AKDM4E
SCHEMBL4196150 0.78 KDM4E (0.46) MTNR1AMTNR1BNPC1RAB9AKDM4E
SCHEMBL4195268 0.75 KDM4E (0.43) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4193683 0.75 KDM4E (0.46) MTNR1AMTNR1BNPC1RAB9AKDM4E
SCHEMBL4181685 0.74 KDM4E (0.50) MTNR1AMTNR1BNPC1RAB9AKDM4E
SCHEMBL4187070 0.74 KDM4E (0.52) MTNR1AMTNR1BNPC1RAB9AKDM4E
SCHEMBL4191386 0.74 LMNA (0.44) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4193769 0.74 MEN1 (0.42) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4191934 0.74 KDM4E (0.43) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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