SCHEMBL8674166

SCHEMBL8674166

CCCCc1cnc2ccccc2c1-c1ccc(-c2ccccc2C(=O)OC)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.44
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
ALOX5AP P20292 1/20 0.38
BRS3 P32247 1/20 0.38

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
SCHEMBL8674164 0.81 SMN1; SMN2 (0.43) PLA2G2AAGTR1AGTR2MAPTSMN1; SMN2
SCHEMBL8671451 0.79 PLA2G2A (0.50) PLA2G2AAGTR1AGTR2ALDH1A1MEN1
SCHEMBL8501923 0.77 AGTR1 (0.50) PLA2G2AAGTR1AGTR2ACHEBRS3
SCHEMBL8670875 0.73 DHODH (0.47) NPSR1ALDH1A1SMN1; SMN2BRS3
SCHEMBL8501790 0.69 PLA2G2A (0.52) PLA2G2AAGTR1AGTR2ACHE
SCHEMBL7835618 0.69 BRS3 (0.52) AGTR1AGTR2BRS3
SCHEMBL8504620 0.68 BRS3 (0.54) AGTR1AGTR2BRS3
SCHEMBL8501882 0.68 MAPT (0.48) PLA2G2AAGTR1AGTR2MAPTACHE
SCHEMBL8505378 0.67 PLA2G2A (0.52) PLA2G2AAGTR1AGTR2ACHEBRS3
SCHEMBL7134084 0.67 PTPN11 (0.44) PLA2G2AAGTR1AGTR2ACHEALDH1A1

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
US-5817674-A ANTIOTENSIN II RECEPTOR ANTAGONISTS ROUSSEL UCLAF (FR) 1998-10-06 US disclosed