SCHEMBL10118876

SCHEMBL10118876

CC(=O)Nc1ccc(C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C=O)C(C)C)C(C)(C)C)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.41
BCR P11274 3/20 0.41
HDAC1 Q13547 1/20 0.41
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
MAPK14 Q16539 1/20 0.36
PTK2 Q05397 1/20 0.36
BRAF P15056 1/20 0.35
DGAT1 O75907 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
STAT6 P42226 1/20 0.34
DEGS1 O15121 2/20 0.34
CA2 P00918 1/20 0.33
CTSB P07858 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
HCAR3 P49019 1/20 0.33

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
SCHEMBL10119261 0.85 DGAT1 (0.47) ABL1BCRHDAC1KITKDR
SCHEMBL10118870 0.85 ACACB (0.39) ABL1BCRCTSB
SCHEMBL10118858 0.79 MAOA (0.39) KDRCA2CTSBGAA
SCHEMBL10119268 0.78 CTSB (0.46) STAT6CA2CTSB
SCHEMBL10118871 0.78 ALDH1A1 (0.43) BRAFCYP1A2
SCHEMBL12518098 0.76 CTSB (0.63) CTSB
SCHEMBL10119062 0.75 ADAM17 (0.48) CTSB
SCHEMBL10119022 0.71 MEN1 (0.44) MAPK14STAT6CA2CTSB
SCHEMBL10119061 0.70 CCR1 (0.42) CTSB
SCHEMBL10118874 0.70 CTSB (0.64) CTSB

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-2012004554-A1 ALDEHYDE COMPOUNDS AS INHIBITORS OF DUST MITE GROUP 1 PEPTIDASE ALLERGEN AND THEIR USE ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2012-01-12 WO disclosed