SCHEMBL5696302

SCHEMBL5696302

CCCCCCCCCCCCCCCCCCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCCCCCCCCCCCCC

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.63
ITGB3 P05106 1/20 0.59
ITGA2B P08514 1/20 0.59
HDAC1 Q13547 5/20 0.59
HDAC6 Q9UBN7 5/20 0.59
PSMB5 P28074 2/20 0.58
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
NOD1 Q9Y239 1/20 0.53

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
SCHEMBL11783496 1.00 FAAH (0.63) FAAHITGB3ITGA2BHDAC1HDAC6
SCHEMBL8665523 1.00 FAAH (0.63) FAAHITGB3ITGA2BHDAC1HDAC6
SCHEMBL19230412 0.91 HDAC1 (0.59) FAAHHDAC1HDAC6PSMB5HDAC3
SCHEMBL18796574 0.90 HDAC1 (0.72) FAAHHDAC1HDAC6
SCHEMBL2337758 0.90 HDAC1 (0.72) FAAHHDAC1HDAC6
SCHEMBL27802923 0.90 HDAC1 (0.72) FAAHHDAC1HDAC6
SCHEMBL18796567 0.90 HDAC1 (0.72) FAAHHDAC1HDAC6
SCHEMBL6651343 0.89 ITGB3 (0.58) ITGB3ITGA2BHDAC1HDAC6
SCHEMBL6650597 0.89 ITGB3 (0.58) ITGB3ITGA2BHDAC1HDAC6
SCHEMBL10519976 0.89 ITGB3 (0.58) ITGB3ITGA2BHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060207935-A1 Methods and device for substance separation using compatible multiphase solvent system TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY TLO CO., LTD. (JP) 2006-09-21 US disclosed
EP-1666114-A1 METHOD AND DEVICE FOR SUBSTANCE SEPARATION USING COMPATIBLE MULTIPHASE SOLVENT SYSTEM Tokyo University of Agriculture and Technology Tlo Co., Ltd. (JP) 2006-06-07 EP disclosed