SCHEMBL8364074

SCHEMBL8364074

CCCCc1cc(-n2c(C)nc3cccc(C(=O)OC)c32)ccc1-c1ccccc1CO

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.39
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
PLA2G2A P14555 1/20 0.37
TLR8 Q9NR97 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL8356786 0.91 TSHR (0.42) TSHRPOLBALOX15AGTR1AGTR2
SCHEMBL8361928 0.89 TSHR (0.38) TSHRPOLBALOX15AGTR1AGTR2
SCHEMBL8359361 0.88 TSHR (0.38) TSHRPOLBALOX15AGTR1AGTR2
SCHEMBL8359917 0.84 TSHR (0.36) TSHRPOLBALOX15
SCHEMBL8359640 0.83 TSHR (0.35) TSHRPOLBALOX15PLA2G2A
SCHEMBL8364566 0.82 TSHR (0.35) TSHRPOLBALOX15TLR8
SCHEMBL8362004 0.81 MAPK1 (0.45) TSHRALOX15AGTR1AGTR2TLR8
SCHEMBL8364350 0.76 TSHR (0.38) TSHRPOLBALOX15
SCHEMBL8505356 0.75 AGTR2 (0.35) AGTR2
SCHEMBL8362081 0.75 AGTR2 (0.36) AGTR2

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-5883111-A STRONG AND LONG-LASTING ACTION BY ORAL ADMINISTRATION; HYPOTENSIVE AGENTS; CARDIOTONIC AGENTS; ALZHEIMER'S DISEASE; TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US disclosed