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SCHEMBL14029285

SCHEMBL14029285

CC1=C(CCC(=O)NCC(C)C(=O)NC2CSSCC(C(=O)NCC(=O)O)NC(=O)C(Cc3ccccc3)NC(=O)C3CSSCC(NC(=O)C(CC(=O)O)NC2=O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)N3)C(=O)OC1=O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 3/20 0.57
▸ CTSG P08311 3/20 0.56
▸ KLKB1 P03952 4/20 0.49
▸ TSLP Q969D9 8/20 0.49
▸ ALB P02768 1/20 0.48
▸ CACNA1B Q00975 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
SCHEMBL13319649 0.87 CTSG (0.69) PLAUCTSGKLKB1TSLP
SCHEMBL13351721 0.86 CTSG (0.62) PLAUCTSGKLKB1TSLPALB
SCHEMBL12146083 0.79 TSLP (0.56) PLAUCTSGTSLP
SCHEMBL14047518 0.79 PLAU (0.38) PLAUCTSGKLKB1TSLPALB
SCHEMBL13659870 0.77 CTSG (0.59) PLAUCTSGKLKB1TSLPCACNA1B
SCHEMBL14096800 0.77 CTSG (0.65) PLAUCTSGKLKB1ALBCACNA1B
SCHEMBL14096793 0.77 CTSG (0.65) PLAUCTSGKLKB1ALBCACNA1B
SCHEMBL13881404 0.77 MC4R (0.51) PLAUCTSGTSLP
SCHEMBL13038608 0.77 MC4R (0.51) PLAUCTSGTSLP
SCHEMBL14096826 0.76 CTSG (0.59) PLAUCTSGKLKB1TSLP

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-7442764-B2 Reversible modification of amine-containing compounds MIRNS BIO CORPORATION (US) 2008-10-28 — — US disclosed
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