SCHEMBL7441367

SCHEMBL7441367

COC(C)(OC)OC(=O)N[C@@H](Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.53
TLR2 O60603 1/20 0.45
TLR1 Q15399 1/20 0.45
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ALOX5 P09917 3/20 0.36
PTGS2 P35354 2/20 0.36
CPB2 Q96IY4 4/20 0.35
CPB1 P15086 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34

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
SCHEMBL3912355 0.92 KLK7 (0.61) KLK7TLR2TLR1ALDH1A1TSHR
SCHEMBL29401167 0.92 KLK7 (0.61) KLK7TLR2TLR1ALDH1A1TSHR
SCHEMBL3911500 0.81 KLK7 (0.57) KLK7TLR2TLR1ALDH1A1
SCHEMBL10522656 0.79 KLK7 (0.47) KLK7TLR2TLR1
SCHEMBL29398857 0.78 KLK7 (0.53) KLK7TLR2TLR1ALDH1A1TSHR
SCHEMBL10521155 0.78 KLK7 (0.46) KLK7TLR2TLR1
SCHEMBL1738812 0.77 MDM2 (0.52) KLK7TLR2TLR1
SCHEMBL6163528 0.77 KLK7 (0.56) KLK7TLR2TLR1ALDH1A1TSHR
SCHEMBL7257138 0.76 MAPT (0.45) KLK7TLR2TLR1ALDH1A1TSHR
SCHEMBL5169290 0.74 ALDH1A1 (0.43) KLK7ALDH1A1TSHRKMT2APOLB

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-4820691-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1989-04-11 US disclosed
EP-0296581-A2 Amino acid 1,2-diketo derivatives as renin inhibitors E.R. SQUIBB & SONS, INC. (US) 1988-12-28 EP disclosed