SCHEMBL9716292

SCHEMBL9716292

CCCCCCCCCCCCCCCCCCOCC(CC#N)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 8/20 0.41
PLA2G10 O15496 2/20 0.39
PLA2G2A P14555 2/20 0.39
PLA2G1B P04054 1/20 0.38
PLA2G5 P39877 1/20 0.38
CETP P11597 3/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL10604578 0.87 PLA2G10 (0.47) TLR2PLA2G10PLA2G2APLA2G1BPLA2G5
SCHEMBL10604671 0.87 PLA2G10 (0.47) TLR2PLA2G10PLA2G2APLA2G1BPLA2G5
SCHEMBL10605748 0.87 PLA2G10 (0.47) TLR2PLA2G10PLA2G2APLA2G1BPLA2G5
SCHEMBL18641859 0.87 PLA2G10 (0.47) TLR2PLA2G10PLA2G2APLA2G1BPLA2G5
SCHEMBL18484325 0.85 TLR2 (0.44) TLR2PLA2G10PLA2G2APLA2G1BPLA2G5
SCHEMBL22268845 0.85 TLR2 (0.44) TLR2PLA2G10PLA2G2APLA2G1BPLA2G5
SCHEMBL6813695 0.85 PLA2G10 (0.50) TLR2PLA2G10PLA2G2APLA2G1BPLA2G5
SCHEMBL10563646 0.83 PLA2G10 (0.44) TLR2PLA2G10PLA2G2APLA2G1BPLA2G5
SCHEMBL25227181 0.82 USP2 (0.47) TLR2CETP
SCHEMBL25227184 0.82 USP2 (0.47) TLR2CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed
EP-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed