SCHEMBL9575720

SCHEMBL9575720

CCCCCCCCCCCCCCCCCCOC[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)NC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.43
PLA2G10 O15496 1/20 0.43
PLA2G1B P04054 1/20 0.43
PLA2G5 P39877 1/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
EPHX1 P07099 1/20 0.40
TLR2 O60603 7/20 0.38
LMNA P02545 1/20 0.38
FAAH O00519 3/20 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
SCHEMBL10942611 0.88 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5NPC1
SCHEMBL10940306 0.88 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5NPC1
SCHEMBL10937042 0.88 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5NPC1
SCHEMBL10944558 0.88 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5NPC1
SCHEMBL11129254 0.88 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5NPC1
SCHEMBL10946092 0.88 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5NPC1
SCHEMBL30866269 0.86 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5TLR2
SCHEMBL11128609 0.86 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5TLR2
SCHEMBL10598820 0.85 MEN1 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5TLR2
SCHEMBL9669469 0.85 HDAC6 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5187293-A Blood platelet activating factor inhibitors HOFFMANN-LA ROCHE INC. (US) 1993-02-16 US disclosed
EP-0147768-B1 GLYCERIN DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1989-02-08 EP disclosed
US-4731373-A BLOOD PLATELET ACTIVATING FACTOR HOFFMAN-LA ROCHE INC. (US) 1988-03-15 US disclosed
EP-0147768-A2 Glycerin derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-07-10 EP disclosed