SCHEMBL11596802

SCHEMBL11596802

CSCC[C@H](N)C(=O)N[C@H]([C]=O)CCCN

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.42
DPP7 Q9UHL4 8/20 0.42
DPP9 Q86TI2 7/20 0.42
DPP8 Q6V1X1 6/20 0.42
DPP4 P27487 4/20 0.42
TSHR P16473 1/20 0.35
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
PGGT1B P53609 1/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
RRM1 P23921 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8685525 0.96 DPP7 (0.43) CTSCDPP7DPP9DPP8DPP4
SCHEMBL8685519 0.96 DPP7 (0.43) CTSCDPP7DPP9DPP8DPP4
SCHEMBL10441973 0.85 CTSC (0.44) CTSCDPP7DPP9DPP8DPP4
SCHEMBL9514734 0.85 CTSC (0.44) CTSCDPP7DPP9DPP8DPP4
SCHEMBL10349778 0.85 CTSC (0.44) CTSCDPP7DPP9DPP8DPP4
SCHEMBL10796739 0.83 DPP4 (0.46) CTSCDPP7DPP9DPP8DPP4
SCHEMBL10723179 0.83 DPP4 (0.46) CTSCDPP9DPP8DPP4TSHR
SCHEMBL9815784 0.82 CTSC (0.44) CTSCDPP7DPP9DPP8DPP4
SCHEMBL7751947 0.82 DPP7 (0.50) DPP7DPP9DPP8DPP4GNAI3
SCHEMBL7751944 0.82 DPP7 (0.50) DPP7DPP9DPP8DPP4GNAI3

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
US-4082736-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 US claimed