SCHEMBL2324137

SCHEMBL2324137

O=C([O-])C(=O)CC(=O)C(F)(F)F.O=C([O-])C(=O)CC(=O)C(F)(F)F.O=C([O-])C(=O)CC(=O)C(F)(F)F.[Al+3]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.38
PLOD3 O60568 2/20 0.36
PLOD1 Q02809 2/20 0.36
FAAH O00519 8/20 0.34
CES1 P23141 6/20 0.33
CES2 O00748 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL9510912 0.95 PLOD2 (0.38) PLOD2PLOD3PLOD1FAAHCES1
SCHEMBL17459872 0.95 PLOD2 (0.38) PLOD2PLOD3PLOD1FAAHCES1
SCHEMBL184054 0.95 PLOD2 (0.38) PLOD2PLOD3PLOD1FAAHCES1
SCHEMBL5787604 0.95 PLOD2 (0.38) PLOD2PLOD3PLOD1FAAHCES1
SCHEMBL9844058 0.95 PLOD2 (0.38) PLOD2PLOD3PLOD1FAAHCES1
Silver SCHEMBL9437400 0.95 PLOD2 (0.38) PLOD2PLOD3PLOD1FAAHCES1
SCHEMBL15515799 0.95 PLOD2 (0.38) PLOD2PLOD3PLOD1FAAHCES1
SCHEMBL9671072 0.95 PLOD2 (0.38) PLOD2PLOD3PLOD1FAAHCES1
Water SCHEMBL6553691 0.92 PLOD2 (0.36) PLOD2PLOD3PLOD1FAAHCES1
SCHEMBL8645723 0.81 CA4 (0.47) PLOD2PLOD3PLOD1FAAHCES1

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
EP-2771315-B1 METHOD FOR PREPARING A COMPOUND COMPRISING AT LEAST ONE beta-HYDROXY-URETHANE UNIT AND/OR AT LEAST ONE gamma-HYDROXY-URETHANE UNIT SOCIÉTÉ D EXPL GÉNÉRALE DE PRODUITS IND S E G SAS (FR) 2016-04-13 EP claimed
EP-1524299-B1 Composition for preparing organic insulator SAMSUNG ELECTRONICS CO LTD (KR) 2010-07-07 EP claimed
EP-1671991-B1 Reactive polyurethane prepolymers with a low amount of monomeric diisocyanates BAYER MATERIALSCIENCE AG (DE) 2011-08-10 EP disclosed
EP-1671991-A2 Reactive polyurethane prepolymers with a low amount of monomeric diisocyanates Bayer MaterialScience AG (DE) 2006-06-21 EP disclosed