SCHEMBL8690244

SCHEMBL8690244

CCC[CH]OC(=O)OCCCCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
HCAR2 Q8TDS4 2/20 0.46
EPHX1 P07099 1/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 4/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.41
FAAH O00519 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL8690408 0.98 NAAA (0.50) NAAAHCAR2EPHX1ATMTSHR
SCHEMBL450231 0.94 ATM (0.50) NAAAHCAR2EPHX1ATMTSHR
SCHEMBL448627 0.86 NAAA (0.48) NAAAHCAR2EPHX1ATMTSHR
SCHEMBL451518 0.86 HCAR2 (0.41) HCAR2ATMTSHRALDH1A1HPGD
SCHEMBL449591 0.85 NAAA (0.52) NAAAHCAR2EPHX1ATMTSHR
SCHEMBL450736 0.80 NAAA (0.50) NAAAHCAR2EPHX1ATMTSHR
SCHEMBL1115645 0.80 NAAA (0.50) NAAAHCAR2EPHX1ATMTSHR
SCHEMBL451520 0.80 ATM (0.52) NAAAHCAR2EPHX1ATMTSHR
SCHEMBL449195 0.79 ALDH1A1 (0.52) HCAR2ALDH1A1FAAHNPSR1
SCHEMBL37366 0.79 NAAA (0.62) NAAAHCAR2EPHX1ATMTSHR

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