SCHEMBL9060804

SCHEMBL9060804

CCCn1nc(C(C)C)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.44
AGTR1 P30556 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL8694595 0.85
SCHEMBL8690657 0.81 HTT (0.44)
SCHEMBL8693592 0.75 HTT (0.42)
SCHEMBL8696753 0.74 SLC6A3 (0.42) LTB4R2
SCHEMBL9042464 0.71 AGTR1 (0.49) AGTR1
SCHEMBL9429975 0.69 SMN1; SMN2 (0.55) LTB4R2AGTR1
SCHEMBL9427527 0.69 AGTR1 (0.49) LTB4R2AGTR1PPARG
SCHEMBL8691735 0.69 SMAD3 (0.40)
SCHEMBL29979869 0.68 SLC6A3 (0.69) LTB4R2AGTR1
SCHEMBL14326964 0.68 SLC6A3 (0.69) LTB4R2AGTR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed