SCHEMBL9546500

SCHEMBL9546500

Cc1cccc(C[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 3/20 0.47
HTT P42858 3/20 0.47
ALDH1A1 P00352 3/20 0.47
JAK2 O60674 2/20 0.47
PKM P14618 2/20 0.47
KMT2A Q03164 2/20 0.47
KLK5 Q9Y337 2/20 0.44
ACE P12821 1/20 0.42
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
APP P05067 1/20 0.41
ATM Q13315 1/20 0.40
CTSS P25774 3/20 0.40
CTSB P07858 2/20 0.40

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
SCHEMBL9546505 1.00 NPSR1 (0.47) NPSR1LMNAHPGDHTTALDH1A1
SCHEMBL13968423 0.94 NPSR1 (0.43) NPSR1LMNAHPGDHTTALDH1A1
SCHEMBL5142842 0.93 KLK5 (0.47) NPSR1LMNAHPGDHTTALDH1A1
SCHEMBL7283432 0.93 KLK5 (0.47) NPSR1LMNAHPGDHTTALDH1A1
SCHEMBL6305846 0.93 KLK5 (0.47) NPSR1LMNAHPGDHTTALDH1A1
SCHEMBL6446803 0.93 KLK5 (0.47) NPSR1LMNAHPGDHTTALDH1A1
SCHEMBL7796450 0.93 KLK5 (0.47) NPSR1LMNAHPGDHTTALDH1A1
SCHEMBL7398818 0.93 KLK5 (0.47) NPSR1LMNAHPGDHTTALDH1A1
SCHEMBL9546501 0.92 KLK5 (0.43) NPSR1LMNAHPGDHTTALDH1A1
SCHEMBL9546495 0.92 KLK5 (0.43) NPSR1LMNAHPGDHTTALDH1A1

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
WO-1993023373-A1 N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS PFIZER LIMITED (GB) 1993-11-25 WO disclosed