SCHEMBL8690408

SCHEMBL8690408

CCC[CH]OC(=O)OCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
HCAR2 Q8TDS4 2/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 3/20 0.46
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FAAH O00519 2/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 6/20 0.42

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
SCHEMBL8690244 0.98 NAAA (0.47) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL450231 0.92 ATM (0.50) NAAAHCAR2EPHX1TSHRNPSR1
SCHEMBL449591 0.87 NAAA (0.52) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL448627 0.85 NAAA (0.48) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL451518 0.84 HCAR2 (0.41) HCAR2TSHRATMALDH1A1LMNA
SCHEMBL450585 0.81 NAAA (0.53) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL5507449 0.81 NAAA (0.53) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL5517476 0.81 NAAA (0.53) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL5510321 0.81 NAAA (0.53) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL5506856 0.81 NAAA (0.53) NAAAHCAR2EPHX1TSHRRAD52

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-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed