SCHEMBL9444948

SCHEMBL9444948

O=C(N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](Cc1ccccc1)CS(=O)(=O)Cc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL10826528 0.82 MME (0.52) MME
SCHEMBL7312789 0.82 MME (0.46) MMEALDH1A1TSHR
SCHEMBL7310410 0.82 MME (0.46) MMEALDH1A1TSHR
SCHEMBL7310400 0.82 MME (0.46) MMEALDH1A1TSHR
SCHEMBL7312761 0.82 MME (0.46) MMEALDH1A1TSHR
SCHEMBL10698837 0.81 MME (0.46) MME
SCHEMBL7268403 0.79 MME (0.50) MME
SCHEMBL10826470 0.78 ACE (0.49) MME
SCHEMBL10826350 0.77 MME (0.49) MME
SCHEMBL9444982 0.76 CYP1A2 (0.51) MME

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-5204357-A RENIN-INHIBITING AMINO ACID DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-20 — — US disclosed
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