SCHEMBL7277669

SCHEMBL7277669

CC(C)c1cc(Oc2c(C(C)C)cc(CC(N)C(=O)O)cc2C(C)C)ccc1O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 13/20 0.84
THRA P10827 11/20 0.84
LMNA P02545 2/20 0.60
CYP2D6 P10635 1/20 0.60
TSHR P16473 1/20 0.60
MEN1 O00255 1/20 0.60
GABRP O00591 1/20 0.60
GABRD O14764 1/20 0.60
ABCB11 O95342 1/20 0.60
F2 P00734 1/20 0.60
PCNA P12004 1/20 0.60
GABRA1 P14867 1/20 0.60
GABRB1 P18505 1/20 0.60
GABRG2 P18507 1/20 0.60
GABRB3 P28472 1/20 0.60
ADORA1 P30542 1/20 0.60
GABRA5 P31644 1/20 0.60
GABRA3 P34903 1/20 0.60
PPARG P37231 1/20 0.60
GABRA2 P47869 1/20 0.60

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
SCHEMBL7277661 1.00 THRB (0.84) THRBTHRALMNACYP2D6TSHR
SCHEMBL5549652 0.92 THRB (1.00) THRBTHRALMNACYP2D6TSHR
SCHEMBL3219497 0.92 THRB (1.00) THRBTHRALMNACYP2D6TSHR
SCHEMBL3219487 0.92 THRB (1.00) THRBTHRALMNACYP2D6TSHR
SCHEMBL10678814 0.91 THRB (0.77) THRBTHRALMNACYP2D6TSHR
SCHEMBL7271821 0.91 THRB (0.77) THRBTHRALMNACYP2D6TSHR
SCHEMBL7278626 0.90 THRB (0.77) THRBTHRALMNACYP2D6TSHR
SCHEMBL5549347 0.90 THRB (0.79) THRBTHRA
SCHEMBL10683843 0.90 THRB (0.69) THRBTHRALMNACYP2D6TSHR
SCHEMBL7278619 0.90 THRB (0.77) THRBTHRALMNACYP2D6TSHR

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-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP disclosed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP disclosed