SCHEMBL8489394

SCHEMBL8489394

CCC(C#N)(CC)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
CTSK P43235 7/20 0.36
CTSS P25774 6/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31

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
SCHEMBL15268906 0.84 DGAT1 (0.36) DGAT1CTSKCTSSALDH1A1TSHR
SCHEMBL14556812 0.79 DGAT1 (0.39) DGAT1CTSKCTSSALDH1A1TSHR
SCHEMBL3542102 0.78 ALDH1A1 (0.38) DGAT1ALDH1A1TSHRMEN1KMT2A
SCHEMBL8263519 0.77 DGAT1 (0.42) DGAT1CTSKCTSSTSHRCTSL
SCHEMBL1963 0.77 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2A
SCHEMBL13992304 0.73 DGAT1 (0.34) DGAT1CTSKCTSS
SCHEMBL9755814 0.73 DGAT1 (0.44) DGAT1CTSKCTSSCTSLCTSB
SCHEMBL17617175 0.72 DGAT1 (0.36) DGAT1CTSKCTSSMEN1KMT2A
SCHEMBL17617225 0.72 DGAT1 (0.36) DGAT1CTSKCTSSMEN1KMT2A
SCHEMBL31131830 0.70 PTPRB (0.42) CTSKCTSSALDH1A1TSHRMEN1

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
US-5955487-A TREATING HIGH BLOOD PRESSURE, CARDIAC INSUFFICIENCY, GLAUCOMA CIBA-GEIGY CORPORATION (US) 1999-09-21 US disclosed
US-5620998-A CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-04-15 US disclosed
US-5506240-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed