SCHEMBL7350190

SCHEMBL7350190

CC(C)[C@@H](CO)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.52
CTSK P43235 3/20 0.51
CTSL P07711 2/20 0.51
CTSB P07858 2/20 0.51
CTSS P25774 1/20 0.51
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 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
SCHEMBL9312224 1.00 REN (0.52) RENCTSKCTSLCTSBCTSS
SCHEMBL8759866 0.88 CTSB (0.54) RENCTSKCTSLCTSBCTSS
SCHEMBL9312098 0.86 REN (0.50) RENCTSKCTSLCTSBCTSS
SCHEMBL7293547 0.84 CTSB (0.54) RENCTSKCTSLCTSBCTSS
SCHEMBL7270917 0.84 CTSB (0.54) RENCTSKCTSLCTSBCTSS
SCHEMBL7270921 0.84 CTSB (0.54) RENCTSKCTSLCTSBCTSS
SCHEMBL9312089 0.83 CTSL (0.52) RENCTSKCTSLCTSBCTSS
SCHEMBL9312452 0.83 CTSL (0.52) RENCTSKCTSLCTSBCTSS
SCHEMBL8759915 0.81 CTSB (0.55) RENCTSKCTSLCTSBCTSS
SCHEMBL8681567 0.81 CTSB (0.51) RENCTSKCTSLCTSBCTSS

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
US-5342981-A Substantially isomerically pure hexane or hexene compounds ABBOTT LABORATORIES (US) 1994-08-30 US claimed
US-5389647-A A prodrugs as hypotensive agents, treating congestive heart failure, urogenital disorders, vision defects ABBOTT LABORATORIES (US) 1995-02-14 US disclosed
US-5342981-A Substantially isomerically pure hexane or hexene compounds ABBOTT LABORATORIES (US) 1994-08-30 US disclosed
US-5244910-A Treating hypertension, congestive heart failure ABBOTT LABORATORIES (US) 1993-09-14 US disclosed
WO-1992003429-A1 RENIN INHIBITORS ABBOTT LABORATORIES (US) 1992-03-05 WO disclosed