SCHEMBL10407750

SCHEMBL10407750

COC(=O)C(CC(C)C)NC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 17/20 0.68
▸ TAS1R1 Q7RTX1 17/20 0.68
▸ CTSL P07711 3/20 0.62
▸ CTSB P07858 1/20 0.62
▸ CTSS P25774 1/20 0.62
▸ CTSK P43235 1/20 0.62

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
SCHEMBL6241209 1.00 TAS1R3 (0.68) TAS1R3TAS1R1CTSLCTSBCTSS
SCHEMBL14479005 0.91 TAS1R3 (0.58) TAS1R3TAS1R1CTSLCTSBCTSS
SCHEMBL6032313 0.88 PSMB5 (0.67) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL839816 0.88 CTSL (0.59) TAS1R3TAS1R1CTSLCTSBCTSS
SCHEMBL839616 0.88 CTSL (0.59) TAS1R3TAS1R1CTSLCTSBCTSS
SCHEMBL838492 0.88 CTSL (0.59) TAS1R3TAS1R1CTSLCTSBCTSS
SCHEMBL14479007 0.88 TAS1R3 (0.55) TAS1R3TAS1R1CTSLCTSBCTSS
SCHEMBL14479031 0.87 TAS1R3 (0.56) TAS1R3TAS1R1CTSLCTSBCTSS
SCHEMBL16359991 0.86 TAS1R3 (0.52) TAS1R3TAS1R1CTSLCTSBCTSS
SCHEMBL8234956 0.86 TAS1R3 (0.52) TAS1R3TAS1R1CTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100448881-C Novel chemical bonding chiral immobile phase and its preparation method and uses UNIV CHINA AGRICULTURAL (CN) 2009-01-07 — — CN disclosed
CN-1800192-A Novel chemical bonding chiral immobile phase and its preparation method and uses UNIV CHINA AGRICULTURAL (CN) 2006-07-12 — — CN disclosed
US-4977277-A INTERMEDIATES FOR RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-12-11 — — US disclosed
US-4837204-A RENIN INHIBITORS; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-06-06 — — US disclosed
EP-0230266-A2 Functionalized peptidyl aminodiols and -triols ABBOTT LABORATORIES (US) 1987-07-29 — — EP disclosed
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