SCHEMBL9575970

SCHEMBL9575970

CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)OCCBr)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 8/20 0.45
CETP P11597 3/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9863402 0.84 TLR2 (0.49) TLR2L3MBTL1LMNA
SCHEMBL10605748 0.83 PLA2G10 (0.47) TLR2CETPTDP1L3MBTL1PLA2G10
SCHEMBL10604671 0.83 PLA2G10 (0.47) TLR2CETPTDP1L3MBTL1PLA2G10
SCHEMBL18641859 0.83 PLA2G10 (0.47) TLR2CETPTDP1L3MBTL1PLA2G10
SCHEMBL10604578 0.83 PLA2G10 (0.47) TLR2CETPTDP1L3MBTL1PLA2G10
SCHEMBL26277061 0.82 TLR2 (0.48) TLR2CETPALDH1A1TSHRCYP3A4
SCHEMBL4483073 0.81 CETP (0.50) TLR2CETPALDH1A1TSHRCYP3A4
SCHEMBL8562419 0.81 TLR2 (0.43) TLR2CETPTDP1L3MBTL1PLA2G10
SCHEMBL10833517 0.81 LPAR1 (0.50) CETPTSHRPLA2G10PLA2G2A
SCHEMBL10833513 0.81 LPAR1 (0.50) CETPTSHRPLA2G10PLA2G2A

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-5187293-A Blood platelet activating factor inhibitors HOFFMANN-LA ROCHE INC. (US) 1993-02-16 US disclosed
US-4731373-A BLOOD PLATELET ACTIVATING FACTOR HOFFMAN-LA ROCHE INC. (US) 1988-03-15 US disclosed