SCHEMBL10458012

SCHEMBL10458012

COc1ccc(-c2ccc(C(=O)NC(C)CCCc3cccnc3)cc2C)cc1OC

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 18/20 0.83
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL10458010 1.00 PTAFR (0.83) PTAFRTAS1R3TAS1R1USP2ALDH1A1
SCHEMBL10459177 0.91 PTAFR (0.83) PTAFRUSP2ALDH1A1NPSR1L3MBTL1
SCHEMBL10459516 0.91 PTAFR (0.83) PTAFRUSP2ALDH1A1NPSR1L3MBTL1
SCHEMBL10459654 0.91 PTAFR (1.00) PTAFRUSP2ALDH1A1NPSR1L3MBTL1
SCHEMBL10459655 0.91 PTAFR (1.00) PTAFRUSP2ALDH1A1NPSR1L3MBTL1
SCHEMBL10459863 0.91 PTAFR (0.81) PTAFRTAS1R3TAS1R1USP2ALDH1A1
SCHEMBL10459864 0.91 PTAFR (0.81) PTAFRTAS1R3TAS1R1USP2ALDH1A1
SCHEMBL10459238 0.91 PTAFR (1.00) PTAFRUSP2ALDH1A1NPSR1L3MBTL1
SCHEMBL10459706 0.91 PTAFR (1.00) PTAFRUSP2ALDH1A1NPSR1L3MBTL1
SCHEMBL10458061 0.89 PTAFR (1.00) PTAFR

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-4916145-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1990-04-10 US disclosed