SCHEMBL12464483

SCHEMBL12464483

C[C@H](N)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccs1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 6/20 0.52
MMP1 P03956 5/20 0.52
HPGDS O60760 3/20 0.51
CTSC P53634 2/20 0.51
CTSL P07711 1/20 0.49
CTRB1 P17538 3/20 0.48
RAB9A P51151 1/20 0.46

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
SCHEMBL10448470 0.85 CTRB1 (0.62) FCER2MMP1CTRB1
SCHEMBL22563313 0.85 CTRB1 (0.62) FCER2MMP1CTRB1
SCHEMBL7446381 0.81 MME (0.57)
SCHEMBL7437631 0.81 MME (0.57)
SCHEMBL29655902 0.80 CTRB1 (0.57) FCER2MMP1CTRB1
SCHEMBL11220056 0.79 RAB9A (0.51) CTSCRAB9A
SCHEMBL29702065 0.79 MME (0.61) CTRB1
SCHEMBL26254919 0.79 NPY4R (0.50) CTSCCTSL
SCHEMBL12464485 0.77 CTSC (0.47) CTSC
SCHEMBL31462418 0.77 MME (0.60) CTRB1

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-20110183358-A1 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE THE BURNHAM INSTITUTE (US) 2011-07-28 US disclosed