SCHEMBL5994686

SCHEMBL5994686

CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.73
ACE P12821 1/20 0.64
MAPK1 P28482 1/20 0.63
CTSS P25774 3/20 0.63
CTSK P43235 2/20 0.63
CTSL P07711 1/20 0.63
CTSB P07858 1/20 0.63
CAPN1 P07384 1/20 0.57
PSEN1 P49768 2/20 0.56
PSEN2 P49810 2/20 0.56
APH1B Q8WW43 2/20 0.56
NCSTN Q92542 2/20 0.56
APH1A Q96BI3 2/20 0.56
PSENEN Q9NZ42 2/20 0.56
MME P08473 1/20 0.56

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
SCHEMBL9101393 1.00 REN (0.73) RENACEMAPK1CTSSCTSK
SCHEMBL6897460 1.00 REN (0.73) RENACEMAPK1CTSSCTSK
SCHEMBL3046634 1.00 REN (0.73) RENACEMAPK1CTSSCTSK
SCHEMBL9101385 1.00 REN (0.73) RENACEMAPK1CTSSCTSK
SCHEMBL3824374 0.99 REN (0.71) RENACEMAPK1CTSSCTSK
SCHEMBL21244275 0.99 REN (0.71) RENACEMAPK1CTSSCTSK
SCHEMBL3499528 0.99 REN (0.71) RENACEMAPK1CTSSCTSK
SCHEMBL17629479 0.99 REN (0.71) RENACEMAPK1CTSSCTSK
SCHEMBL19341935 0.99 REN (0.71) RENACEMAPK1CTSSCTSK
SCHEMBL9551232 0.98 REN (0.73) RENACEMAPK1CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109041-B1 Display of receptors and analysis of binding interactions and drug libraries SCIENCE & TECHNOLOGY CORPORATION @UNIVERSITY OF NEW MEXICO (US) 2006-09-19 US disclosed
US-7018846-B1 Display of receptors and analysis of binding interactions and drug libraries SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2006-03-28 US disclosed
WO-2000009539-A1 DISPLAY OR RECEPTORS AND ANALYSIS OF BINDING INTERACTIONS AND DRUG LIBRARIES UNIVERSITY OF NEW MEXICO (US) 2000-02-24 WO disclosed