SCHEMBL9575697

SCHEMBL9575697

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
PRKCA P17252 3/20 0.48
PRKCE Q02156 1/20 0.48
PRKCQ Q04759 1/20 0.48
PRKCD Q05655 1/20 0.48
LPAR3 Q9UBY5 6/20 0.46
LPAR1 Q92633 3/20 0.46
ENPP2 Q13822 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX1 P07099 1/20 0.46
LPAR2 Q9HBW0 2/20 0.45

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
SCHEMBL9575694 0.83 EPHX1 (0.46) EPHX1
SCHEMBL10831321 0.82 EPHX1 (0.51) LPAR3LPAR1EPHX1LPAR2
SCHEMBL10831323 0.80 EPHX1 (0.50) LPAR3LPAR1EPHX1
Hydrochloric Acid SCHEMBL9575957 0.80 ALDH1A1 (0.46) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Hydrochloric Acid SCHEMBL9575952 0.80 ALDH1A1 (0.46) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Hydrochloric Acid SCHEMBL9575947 0.80 ALDH1A1 (0.46) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL7917187 0.80 ALDH1A1 (0.84) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL896395 0.80 ALDH1A1 (0.84) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL2733330 0.80 ALDH1A1 (0.84) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL9575941 0.79 KDM4E (0.57) LMNALPAR3LPAR1ENPP2LPAR2

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