SCHEMBL6161301

SCHEMBL6161301

O=C=NC(=O)CCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
ALOX5 P09917 4/20 0.53
HDAC1 Q13547 5/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
FAAH O00519 3/20 0.50
CES1 P23141 3/20 0.50

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
SCHEMBL6160325 0.95 HDAC1 (0.58) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL6159903 0.87 KEAP1 (0.55) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL16751107 0.80 MAPT (0.63) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL5825055 0.79 HDAC1 (0.56) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL8009599 0.77 MAPT (0.65) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL1357419 0.76 CES1 (0.52) MAPTHDAC8HDAC6MAPK1CES1
SCHEMBL3270086 0.76 MAPT (0.68) MAPTRXFP1ALOX5HDAC1HDAC2
5-Phenylvaleric Acid SCHEMBL503601 0.75 MAPT (0.96) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL4886613 0.75 MAPT (0.73) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL8511630 0.74 MAPT (0.71) MAPTRXFP1ALOX5HDAC1HDAC2

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-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 EP disclosed
US-6054591-A LYMPHOTROPIC ANTI-AIDS AGENT SHIONOGI & CO., LTD. (JP) 2000-04-25 US disclosed
EP-0893442-A1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed