SCHEMBL10804801

SCHEMBL10804801

CC#CCOC(=O)C(Cc1ccccc1Oc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.47
▸ MME P08473 1/20 0.47
▸ CPA1 P15085 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ TACR1 P25103 9/20 0.44
▸ CTSL P07711 4/20 0.43
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PPARA Q07869 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38

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
SCHEMBL10802771 0.87 TACR1 (0.47) ACEMMECPA1ACE2TACR1
SCHEMBL10804797 0.82 CTSL (0.50) ACEMMECPA1ACE2TACR1
SCHEMBL10799841 0.82 CTSL (0.63) ACETACR1CTSLGAARAB9A
SCHEMBL10816318 0.81 ACE (0.62) ACEMMECPA1ACE2PPARA
SCHEMBL10808084 0.80 MME (0.48) ACEMMECPA1ACE2TACR1
SCHEMBL10802761 0.69 CTSL (0.52) ACEMMECPA1ACE2TACR1
SCHEMBL3923878 0.69 CTSL (0.51) ACETACR1CTSLGAARAB9A
SCHEMBL3923882 0.69 CTSL (0.51) ACETACR1CTSLGAARAB9A
SCHEMBL11696472 0.68 OPRK1 (0.66) TACR1CTSLGAARAB9ALMNA
SCHEMBL10805989 0.67 CTSL (0.66) ACETACR1CTSLGAARAB9A

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-4661510-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1987-04-28 — — US disclosed
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