SCHEMBL11596068

SCHEMBL11596068

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.53
▸ CMA1 P23946 1/20 0.52
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KLK7 P49862 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ACE P12821 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ KLK5 Q9Y337 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ RCOR1 Q9UKL0 1/20 0.46

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
SCHEMBL11598414 0.91 CTRB1 (0.51) CTRB1CMA1KMT2AMEN1KLK7
SCHEMBL7211627 0.88 CTRB1 (0.55) CTRB1CMA1KMT2AMEN1KLK7
SCHEMBL27471050 0.88 CTRB1 (0.55) CTRB1CMA1KMT2AMEN1KLK7
SCHEMBL3390852 0.87 CMA1 (0.49) CTRB1CMA1KMT2AMEN1KLK7
SCHEMBL3390847 0.87 CMA1 (0.49) CTRB1CMA1KMT2AMEN1KLK7
SCHEMBL30689115 0.86 KMT2A (0.51) CTRB1CMA1KMT2AMEN1KLK7
SCHEMBL8422163 0.86 CTRB1 (0.53) CTRB1CMA1KMT2AMEN1KLK7
SCHEMBL17002153 0.86 CTRB1 (0.53) CTRB1CMA1KMT2AMEN1KLK7
SCHEMBL31195863 0.85 CTRB1 (0.56) CTRB1CMA1KMT2AMEN1KLK7
SCHEMBL29535218 0.83 CTRB1 (0.58) CTRB1CMA1KMT2AMEN1KLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4082736-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 — — US disclosed
US-4082735-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 — — US disclosed
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