SCHEMBL7264763

SCHEMBL7264763

Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)CCC(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PLAU P00749 1/20 0.55
HPN P05981 1/20 0.55
CA2 P00918 5/20 0.52
CA1 P00915 4/20 0.52
CA9 Q16790 3/20 0.52
CA4 P22748 1/20 0.52
MMP13 P45452 5/20 0.51
MMP1 P03956 3/20 0.51
MMP2 P08253 3/20 0.51
MMP9 P14780 3/20 0.51
MMP3 P08254 2/20 0.51
MMP7 P09237 2/20 0.51
CA12 O43570 1/20 0.50
ALDH1A1 P00352 2/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL29999340 0.85 AIMP2 (0.57) AIMP2MEN1KMT2APLAUHPN
SCHEMBL7066619 0.83 MMP9 (0.71) AIMP2MEN1KMT2APLAUHPN
SCHEMBL3969625 0.83 MMP9 (0.71) AIMP2MEN1KMT2APLAUHPN
SCHEMBL11351046 0.83 MMP9 (0.71) AIMP2MEN1KMT2APLAUHPN
SCHEMBL7434664 0.83 AIMP2 (0.60) AIMP2MEN1KMT2APLAUHPN
SCHEMBL29827373 0.81 KMT2A (0.58) AIMP2MEN1KMT2APLAUHPN
SCHEMBL6194686 0.80 AIMP2 (0.57) AIMP2MEN1KMT2APLAUHPN
SCHEMBL7264756 0.79 ALDH1A1 (0.52) MEN1KMT2AMMP13MMP1MMP2
SCHEMBL27365155 0.78 MMP2 (0.64) AIMP2MEN1KMT2APLAUHPN
SCHEMBL8630589 0.78 AIMP2 (0.56) AIMP2MEN1KMT2APLAUHPN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0229667-B1 Peptidylaminodiols ABBOTT LAB (US) 1994-07-13 EP disclosed
US-5214129-A Amidation of a protected amino acid by an di-O-protected dihydroxy-containing amine and coupling with a carboxylic acid; deprotecting; renin inhibitors; hypotensive agents ABBOTT LABORATORIES (US) 1993-05-25 US disclosed
US-5091575-A Renin inhibitor ABBOTT LABORATORIES (US) 1992-02-25 US disclosed
US-5032577-A Hypotensive ABBOTT LABORATORIES (US) 1991-07-16 US disclosed
US-4977277-A INTERMEDIATES FOR RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-12-11 US disclosed
US-4845079-A HYPOTENSIVE, RENIN INHIBITION ABBOTT LABORATORIES 1989-07-04 US disclosed
US-4837204-A RENIN INHIBITORS; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-06-06 US disclosed
US-4725583-A ANTIHYPERTENSIVE ABBOTT LABORATORIES (US) 1988-02-16 US disclosed
EP-0230266-A2 Functionalized peptidyl aminodiols and -triols ABBOTT LABORATORIES (US) 1987-07-29 EP disclosed
EP-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 EP disclosed
EP-0189203-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1986-07-30 EP disclosed