SCHEMBL435907

SCHEMBL435907

NC(=O)Oc1ccc(Oc2ccc3c(c2)CC(C(=O)NO)CC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.42
RAF1 P04049 8/20 0.42
BRAF P15056 8/20 0.42
ACHE P22303 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL10197645 0.86 FAAH (0.54) FAAH
SCHEMBL10197653 0.85 ADRB3 (0.46) FAAHRAF1BRAFACHECA1
SCHEMBL346830 0.84 FAAH (0.49) FAAHRAF1BRAF
SCHEMBL461415 0.82 MTNR1A (0.54) RAF1BRAFMTNR1AMTNR1B
SCHEMBL15967913 0.82 RAF1 (0.45) FAAHRAF1BRAFMTNR1AMTNR1B
SCHEMBL10197685 0.81 FAAH (0.60) FAAH
SCHEMBL10197649 0.80 ADRB3 (0.49) FAAH
SCHEMBL10197641 0.80 MTNR1A (0.60) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL346899 0.80 FAAH (0.54) FAAH
SCHEMBL10197716 0.78 MMP8 (0.49) RAF1BRAFMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed