SCHEMBL10802771

SCHEMBL10802771

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 10/20 0.47
▸ ACE P12821 2/20 0.46
▸ MME P08473 1/20 0.46
▸ CPA1 P15085 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ CTSL P07711 1/20 0.45
▸ LMNA P02545 1/20 0.42
▸ PPARA Q07869 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ CDC25B P30305 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
SCHEMBL10804801 0.87 ACE (0.47) TACR1ACEMMECPA1ACE2
SCHEMBL10808084 0.84 MME (0.48) TACR1ACEMMECPA1ACE2
SCHEMBL10816318 0.83 ACE (0.62) ACEMMECPA1ACE2LMNA
SCHEMBL10802761 0.81 CTSL (0.52) TACR1ACEMMECPA1ACE2
SCHEMBL10805989 0.81 CTSL (0.66) TACR1ACECTSLLMNAGAA
SCHEMBL10802201 0.78 TACR1 (0.71) TACR1CTSL
SCHEMBL10817136 0.77 CTSL (0.47) TACR1ACECTSLGAARAB9A
SCHEMBL10805078 0.76 CTSL (0.64) ACECTSLLMNAGAARAB9A
SCHEMBL10801723 0.75 CTSL (0.48) ACECTSLGAARAB9ARECQL
SCHEMBL10805149 0.74 TACR1 (0.60) TACR1CTSLLMNAALDH1A1

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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