SCHEMBL9575700

SCHEMBL9575700

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 10/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
CNR2 P34972 1/20 0.40

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
SCHEMBL10519397 0.90 TLR2 (0.45) TLR2ALDH1A1LMNAMEN1HPGD
Hydrochloric Acid SCHEMBL9576024 0.85 TLR2 (0.42) TLR2ALDH1A1LMNAMEN1HPGD
Hydrochloric Acid SCHEMBL9576028 0.85 TLR2 (0.42) TLR2ALDH1A1LMNAMEN1HPGD
Hydrochloric Acid SCHEMBL9576034 0.85 TLR2 (0.42) TLR2ALDH1A1LMNAMEN1HPGD
SCHEMBL31421978 0.84 TLR2 (0.50) TLR2PLA2G10PLA2G2A
SCHEMBL13058704 0.84 TBXAS1 (0.50) TLR2ALDH1A1LMNAPLA2G10PLA2G2A
SCHEMBL3757478 0.84 TBXAS1 (0.50) TLR2ALDH1A1LMNAPLA2G10PLA2G2A
SCHEMBL9576035 0.83 TLR2 (0.49) TLR2LMNA
SCHEMBL8735923 0.83 CETP (0.48) TLR2ALDH1A1LMNA
SCHEMBL18641859 0.82 PLA2G10 (0.47) TLR2PLA2G10PLA2G2A

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 3 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
EP-0147768-A2 Glycerin derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-07-10 EP disclosed