SCHEMBL7864855

SCHEMBL7864855

COC(=O)C(C)C(C)CC(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.44
FOLH1 Q04609 3/20 0.44
ENPEP Q07075 2/20 0.39
MME P08473 2/20 0.38
GABRR1 P24046 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CA14 Q9ULX7 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CA12 O43570 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
SCHEMBL7316251 0.80 NAALAD2 (0.48) NAALAD2FOLH1ENPEPMMEGABRR1
SCHEMBL28936293 0.80 MME (0.41) FOLH1MMESMN1; SMN2CA14CA12
SCHEMBL2345544 0.76 NAALAD2 (0.43) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL1300780 0.75 ENPEP (0.48) NAALAD2FOLH1ENPEPMMEGABRR1
SCHEMBL16624815 0.74 SMN1; SMN2 (0.38) MMESMN1; SMN2CA14CA12
SCHEMBL17616867 0.73 CA2 (0.50) NAALAD2FOLH1ENPEPMMEGABRR1
SCHEMBL15041053 0.73 CA1 (0.43) MMESMN1; SMN2CA14CA12ALDH1A1
SCHEMBL15041052 0.73 CA1 (0.43) MMESMN1; SMN2CA14CA12ALDH1A1
SCHEMBL8223673 0.73 CA1 (0.43) MMESMN1; SMN2CA14CA12ALDH1A1
SCHEMBL12890253 0.73 CA1 (0.43) MMESMN1; SMN2CA14CA12ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306546-B1 NONAQUEOUS ELECTROLYTE SOLUTION COMPRISING AT LEAST ONE LIQUID SATURATED OLIGOMER OF ALKYL METHACRYLATE OR ALKYL ACRYLATE HAVING SPECIFIED MOLECULAR WEIGHT ROHM AND HAAS COMPANY 2001-10-23 US disclosed