SCHEMBL8863136

SCHEMBL8863136

NCCCCCC(=O)N[C@H]([C]=O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.59
CTSC P53634 2/20 0.53
ITGB3 P05106 3/20 0.48
ITGA2B P08514 3/20 0.48
CYP3A4 P08684 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45

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
SCHEMBL10887549 0.86 FAAH (0.57)
SCHEMBL10779010 0.86 FAAH (0.57)
SCHEMBL10894362 0.86 FAAH (0.57)
SCHEMBL10889442 0.86 FAAH (0.57)
SCHEMBL10889436 0.86 FAAH (0.57)
SCHEMBL10890368 0.86 FAAH (0.57)
SCHEMBL10889905 0.86 FAAH (0.57)
SCHEMBL10891677 0.86 FAAH (0.57)
SCHEMBL10890371 0.86 FAAH (0.57)
SCHEMBL10889898 0.86 FAAH (0.57)

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-5688913-A OLIGOPEPTIDES AS ANTIINFLAMMATORY AGENTS CYTEL CORPORATION (US) 1997-11-18 US claimed
US-5688913-A OLIGOPEPTIDES AS ANTIINFLAMMATORY AGENTS CYTEL CORPORATION (US) 1997-11-18 US disclosed