SCHEMBL22698709

SCHEMBL22698709

NC(=O)NCCC[C@H](NC(=O)CCCCCC(=O)O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 4/20 0.44
▸ NPY5R Q15761 4/20 0.44
▸ NPY1R P25929 3/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ SIRT5 Q9NXA8 3/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ ITGB3 P05106 2/20 0.41
▸ ITGA2B P08514 2/20 0.41
▸ C3AR1 Q16581 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ CALCRL Q16602 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP3 P08254 1/20 0.40

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
SCHEMBL16274143 0.86 ROCK2 (0.44) NPY4RNPY5RNPY1RNPY2RROCK2
SCHEMBL24701258 0.86 C3AR1 (0.42) SIRT5ROCK2C3AR1MMP2MMP9
SCHEMBL24539700 0.86 C3AR1 (0.42) SIRT5ROCK2C3AR1MMP2MMP9
SCHEMBL21897658 0.86 NPY4R (0.40) NPY4RNPY5RNPY1RNPY2RSIRT5
SCHEMBL17803625 0.86 SIRT1 (0.41) NPY4RNPY5RNPY1RSIRT5C3AR1
SCHEMBL22264483 0.86 SIRT1 (0.41) NPY4RNPY5RNPY1RSIRT5C3AR1
SCHEMBL25765429 0.85 NPY5R (0.40) NPY4RNPY5RNPY1RNPY2RROCK2
SCHEMBL15692124 0.84 NMT2 (0.45) NPY4RNPY5RNPY1RNPY2RROCK2
SCHEMBL14978855 0.84 NMT2 (0.45) NPY4RNPY5RNPY1RNPY2RROCK2
SCHEMBL23189264 0.83 ITGB3 (0.42) NPY4RNPY5RNPY1RNPY2RITGB3

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
EP-3082875-B1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH INC (US) 2020-11-25 — — EP disclosed
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