SCHEMBL9517409

SCHEMBL9517409

CCOC(CC(C)C(=O)O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.42
FOLH1 Q04609 2/20 0.42
ENPEP Q07075 2/20 0.42
GABRR1 P24046 2/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
RNPEP Q9H4A4 1/20 0.33
BLM P54132 1/20 0.33
SLC7A5 Q01650 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL6384794 0.82 NAALAD2 (0.42) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL9472675 0.81 THRB (0.35) ENPEPLMNARNPEPSLC7A5HDAC1
SCHEMBL15915435 0.80 ALOX15 (0.36) LMNAEPHX1
SCHEMBL8357552 0.78 SMN1; SMN2 (0.35) LMNAEPHX1
SCHEMBL7977853 0.78 SLC1A3 (0.50) LMNARNPEPSLC7A5EPHX1
SCHEMBL9785486 0.78 SLC1A3 (0.50) LMNARNPEPSLC7A5EPHX1
SCHEMBL9785492 0.78 SLC1A3 (0.50) LMNARNPEPSLC7A5EPHX1
SCHEMBL6385655 0.78 NAALAD2 (0.39) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL27609219 0.76 NAALAD2 (0.45) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL11632438 0.76 RNPEP (0.52) FOLH1LMNARNPEPHDAC1HDAC2

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
EP-0396445-B1 CURABLE FLUORINATED COPOLYMERS, THEIR METHOD OF PREPARATION AND THEIR USE IN LACQUERS AND PAINTS ELF ATOCHEM S.A. (FR) 1993-06-16 EP disclosed
EP-0396445-A1 Curable fluorinated copolymers, their method of preparation and their use in lacquers and paints ELF ATOCHEM S.A. (FR) 1990-11-07 EP disclosed