SCHEMBL9799059

SCHEMBL9799059

CCCCCCCCCCCCCCCCOC[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)Oc1cc(-c2ccccc2)on1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 9/20 0.47
PLA2G10 O15496 4/20 0.47
PLA2G1B P04054 3/20 0.47
PLA2G5 P39877 3/20 0.47
SOAT1 P35610 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL9799057 1.00 PLA2G2A (0.47) PLA2G2APLA2G10PLA2G1BPLA2G5SOAT1
SCHEMBL9529973 0.84 SOAT1 (0.40) PLA2G2APLA2G10PLA2G1BPLA2G5SOAT1
SCHEMBL9529975 0.84 SOAT1 (0.40) PLA2G2APLA2G10PLA2G1BPLA2G5SOAT1
SCHEMBL9798365 0.81 PLA2G2A (0.46) PLA2G2APLA2G10PLA2G1BPLA2G5CYP1A2
SCHEMBL9799022 0.81 PLA2G2A (0.46) PLA2G2APLA2G10PLA2G1BPLA2G5CYP1A2
SCHEMBL9798948 0.81 PLA2G2A (0.46) PLA2G2APLA2G10PLA2G1BPLA2G5CYP1A2
SCHEMBL9798355 0.81 PLA2G2A (0.46) PLA2G2APLA2G10PLA2G1BPLA2G5CYP1A2
SCHEMBL9798498 0.78 PLA2G2C (0.41) PLA2G2APLA2G10PLA2G1BPLA2G5HDAC3
SCHEMBL2233937 0.77 PLA2G2A (0.47) PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL9527629 0.76 ALDH1A1 (0.56)

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-5068340-A Antagonist of platelet activating factor for treatment of asthma, inflammation or shock SANKYO COMPANY, LIMITED (JP) 1991-11-26 US disclosed