SCHEMBL10805989

SCHEMBL10805989

C#CCOC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.66
▸ ACE P12821 3/20 0.58
▸ CTSS P25774 3/20 0.55
▸ CTSK P43235 3/20 0.55
▸ GAA P10253 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ CTSB P07858 2/20 0.50
▸ TACR1 P25103 1/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ CTRB1 P17538 3/20 0.49
▸ GPR132 Q9UNW8 1/20 0.48

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
SCHEMBL10805078 0.88 CTSL (0.64) CTSLACECTSSCTSKGAA
SCHEMBL10802761 0.87 CTSL (0.52) CTSLACECTSSCTSKGAA
SCHEMBL10799841 0.84 CTSL (0.63) CTSLACECTSSCTSKGAA
SCHEMBL10817131 0.83 ACE (0.50) CTSLACECTSSCTSKGAA
SCHEMBL10801723 0.83 CTSL (0.48) CTSLACECTSSCTSKGAA
SCHEMBL10817136 0.82 CTSL (0.47) CTSLACECTSSCTSKGAA
SCHEMBL19437162 0.82 CTSL (0.71) CTSLACECTSSCTSKGAA
SCHEMBL20838261 0.82 CTSL (0.71) CTSLACECTSSCTSKGAA
SCHEMBL3927028 0.82 CTSL (0.71) CTSLACECTSSCTSKGAA
SCHEMBL28790851 0.82 CTSL (0.71) CTSLACECTSSCTSKGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0134561-B1 ALPHA-ALLENIC-ALPHA-AMINO ACIDS SYNTEX (U.S.A.) INC. (US) 1987-07-08 — — EP disclosed
US-4661510-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1987-04-28 — — US disclosed
EP-0134561-A1 Alpha-allenic-alpha-amino acids SYNTEX (U.S.A.) INC. (US) 1985-03-20 — — EP disclosed
Send feedback